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chemistryModel, reactions, ODESolver: Added "li" argument to all functions which evaluate the reaction rate

Browse Source 
In chemistryModel "li" is set to the current cell index but for other reacting
systems it should be set to the current index of the element for which the
reaction system is being evaluated.

In the ODESolver "li" is the current index of the element for which the ODE
system is being solved if there is a list of related systems being solved,
otherwise it can be set to 0.
This commit is contained in:
Henry Weller
2019-07-31 15:40:04 +01:00
parent ba5cdbeb61
commit 2d0f459ea5
95 changed files with 713 additions and 415 deletions
Download Patch File Download Diff File Expand all files Collapse all files

6
src/ODE/ODESolvers/Euler/Euler.C
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2013-2018 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2013-2019 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -68,6 +68,7 @@ Foam::scalar Foam::Euler::solve
(
const scalar x0,
const scalarField& y0,
const label li,
const scalarField& dydx0,
const scalar dx,
scalarField& y
@ -93,10 +94,11 @@ void Foam::Euler::solve
(
scalar& x,
scalarField& y,
const label li,
scalar& dxTry
) const
{
adaptiveSolver::solve(odes_, x, y, dxTry);
adaptiveSolver::solve(odes_, x, y, li, dxTry);
}

2
src/ODE/ODESolvers/Euler/Euler.H
View File

@ -97,6 +97,7 @@ public:
(
const scalar x0,
const scalarField& y0,
const label li,
const scalarField& dydx0,
const scalar dx,
scalarField& y
@ -107,6 +108,7 @@ public:
(
scalar& x,
scalarField& y,
const label li,
scalar& dxTry
) const;
};

8
src/ODE/ODESolvers/EulerSI/EulerSI.C
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2013-2018 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2013-2019 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -78,12 +78,13 @@ Foam::scalar Foam::EulerSI::solve
(
const scalar x0,
const scalarField& y0,
const label li,
const scalarField& dydx0,
const scalar dx,
scalarField& y
) const
{
odes_.jacobian(x0, y0, dfdx_, dfdy_);
odes_.jacobian(x0, y0, li, dfdx_, dfdy_);
for (label i=0; i<n_; i++)
{
@ -118,10 +119,11 @@ void Foam::EulerSI::solve
(
scalar& x,
scalarField& y,
const label li,
scalar& dxTry
) const
{
adaptiveSolver::solve(odes_, x, y, dxTry);
adaptiveSolver::solve(odes_, x, y, li, dxTry);
}

2
src/ODE/ODESolvers/EulerSI/EulerSI.H
View File

@ -104,6 +104,7 @@ public:
(
const scalar x0,
const scalarField& y0,
const label li,
const scalarField& dydx0,
const scalar dx,
scalarField& y
@ -114,6 +115,7 @@ public:
(
scalar& x,
scalarField& y,
const label li,
scalar& dxTry
) const;
};

11
src/ODE/ODESolvers/ODESolver/ODESolver.C
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2011-2018 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2011-2019 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -116,11 +116,12 @@ void Foam::ODESolver::solve
(
scalar& x,
scalarField& y,
const label li,
scalar& dxTry
) const
{
stepState step(dxTry);
solve(x, y, step);
solve(x, y, li, step);
dxTry = step.dxTry;
}
@ -129,11 +130,12 @@ void Foam::ODESolver::solve
(
scalar& x,
scalarField& y,
const label li,
stepState& step
) const
{
scalar x0 = x;
solve(x, y, step.dxTry);
solve(x, y, li, step.dxTry);
step.dxDid = x - x0;
}
@ -143,6 +145,7 @@ void Foam::ODESolver::solve
const scalar xStart,
const scalar xEnd,
scalarField& y,
const label li,
scalar& dxTry
) const
{
@ -164,7 +167,7 @@ void Foam::ODESolver::solve
}
// Integrate as far as possible up to step.dxTry
solve(x, y, step);
solve(x, y, li, step);
// Check if reached xEnd
if ((x - xEnd)*(xEnd - xStart) >= 0)

25
src/ODE/ODESolvers/ODESolver/ODESolver.H
View File

@ -183,35 +183,42 @@ public:
inline void resizeMatrix(scalarSquareMatrix& m) const;
//- Solve the ODE system as far as possible up to dxTry
// adjusting the step as necessary to provide a solution within
// the specified tolerance.
//- Solve the ODE system from the current state xStart, y
// and the optional index into the list of systems to solve li
// as far as possible up to dxTry adjusting the step as necessary
// to provide a solution within the specified tolerance.
// Update the state and return an estimate for the next step in dxTry
virtual void solve
(
scalar& x,
scalarField& y,
const label li,
scalar& dxTry
) const;
//- Solve the ODE system as far as possible up to dxTry
// adjusting the step as necessary to provide a solution within
// the specified tolerance.
// Update the state and return an estimate for the next step in dxTry
//- Solve the ODE system from the current state xStart, y
// and the optional index into the list of systems to solve li
// as far as possible up to step.dxTry adjusting the step as necessary
// to provide a solution within the specified tolerance.
// Update the state and return the step actually taken in step.dxDid
// and an estimate for the next step in step.dxTry
virtual void solve
(
scalar& x,
scalarField& y,
const label li,
stepState& step
) const;
//- Solve the ODE system from xStart to xEnd, update the state
// and return an estimate for the next step in dxTry
//- Solve the ODE system from the current state xStart, y
// and the optional index into the list of systems to solve li
// to xEnd and return an estimate for the next step in dxTry
virtual void solve
(
const scalar xStart,
const scalar xEnd,
scalarField& y,
const label li,
scalar& dxEst
) const;

16
src/ODE/ODESolvers/RKCK45/RKCK45.C
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2013-2018 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2013-2019 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -114,6 +114,7 @@ Foam::scalar Foam::RKCK45::solve
(
const scalar x0,
const scalarField& y0,
const label li,
const scalarField& dydx0,
const scalar dx,
scalarField& y
@ -124,21 +125,21 @@ Foam::scalar Foam::RKCK45::solve
yTemp_[i] = y0[i] + a21*dx*dydx0[i];
}
odes_.derivatives(x0 + c2*dx, yTemp_, k2_);
odes_.derivatives(x0 + c2*dx, yTemp_, li, k2_);
forAll(yTemp_, i)
{
yTemp_[i] = y0[i] + dx*(a31*dydx0[i] + a32*k2_[i]);
}
odes_.derivatives(x0 + c3*dx, yTemp_, k3_);
odes_.derivatives(x0 + c3*dx, yTemp_, li, k3_);
forAll(yTemp_, i)
{
yTemp_[i] = y0[i] + dx*(a41*dydx0[i] + a42*k2_[i] + a43*k3_[i]);
}
odes_.derivatives(x0 + c4*dx, yTemp_, k4_);
odes_.derivatives(x0 + c4*dx, yTemp_, li, k4_);
forAll(yTemp_, i)
{
@ -146,7 +147,7 @@ Foam::scalar Foam::RKCK45::solve
+ dx*(a51*dydx0[i] + a52*k2_[i] + a53*k3_[i] + a54*k4_[i]);
}
odes_.derivatives(x0 + c5*dx, yTemp_, k5_);
odes_.derivatives(x0 + c5*dx, yTemp_, li, k5_);
forAll(yTemp_, i)
{
@ -155,7 +156,7 @@ Foam::scalar Foam::RKCK45::solve
*(a61*dydx0[i] + a62*k2_[i] + a63*k3_[i] + a64*k4_[i] + a65*k5_[i]);
}
odes_.derivatives(x0 + c6*dx, yTemp_, k6_);
odes_.derivatives(x0 + c6*dx, yTemp_, li, k6_);
forAll(y, i)
{
@ -178,10 +179,11 @@ void Foam::RKCK45::solve
(
scalar& x,
scalarField& y,
const label li,
scalar& dxTry
) const
{
adaptiveSolver::solve(odes_, x, y, dxTry);
adaptiveSolver::solve(odes_, x, y, li, dxTry);
}

2
src/ODE/ODESolvers/RKCK45/RKCK45.H
View File

@ -117,6 +117,7 @@ public:
(
const scalar x0,
const scalarField& y0,
const label li,
const scalarField& dydx0,
const scalar dx,
scalarField& y
@ -127,6 +128,7 @@ public:
(
scalar& x,
scalarField& y,
const label li,
scalar& dxTry
) const;
};

18
src/ODE/ODESolvers/RKDP45/RKDP45.C
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2013-2018 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2013-2019 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -119,6 +119,7 @@ Foam::scalar Foam::RKDP45::solve
(
const scalar x0,
const scalarField& y0,
const label li,
const scalarField& dydx0,
const scalar dx,
scalarField& y
@ -129,21 +130,21 @@ Foam::scalar Foam::RKDP45::solve
yTemp_[i] = y0[i] + a21*dx*dydx0[i];
}
odes_.derivatives(x0 + c2*dx, yTemp_, k2_);
odes_.derivatives(x0 + c2*dx, yTemp_, li, k2_);
forAll(yTemp_, i)
{
yTemp_[i] = y0[i] + dx*(a31*dydx0[i] + a32*k2_[i]);
}
odes_.derivatives(x0 + c3*dx, yTemp_, k3_);
odes_.derivatives(x0 + c3*dx, yTemp_, li, k3_);
forAll(yTemp_, i)
{
yTemp_[i] = y0[i] + dx*(a41*dydx0[i] + a42*k2_[i] + a43*k3_[i]);
}
odes_.derivatives(x0 + c4*dx, yTemp_, k4_);
odes_.derivatives(x0 + c4*dx, yTemp_, li, k4_);
forAll(yTemp_, i)
{
@ -151,7 +152,7 @@ Foam::scalar Foam::RKDP45::solve
+ dx*(a51*dydx0[i] + a52*k2_[i] + a53*k3_[i] + a54*k4_[i]);
}
odes_.derivatives(x0 + c5*dx, yTemp_, k5_);
odes_.derivatives(x0 + c5*dx, yTemp_, li, k5_);
forAll(yTemp_, i)
{
@ -160,7 +161,7 @@ Foam::scalar Foam::RKDP45::solve
*(a61*dydx0[i] + a62*k2_[i] + a63*k3_[i] + a64*k4_[i] + a65*k5_[i]);
}
odes_.derivatives(x0 + dx, yTemp_, k6_);
odes_.derivatives(x0 + dx, yTemp_, li, k6_);
forAll(y, i)
{
@ -169,7 +170,7 @@ Foam::scalar Foam::RKDP45::solve
}
// Reuse k2_ for the derivative of the new state
odes_.derivatives(x0 + dx, y, k2_);
odes_.derivatives(x0 + dx, y, li, k2_);
forAll(err_, i)
{
@ -187,10 +188,11 @@ void Foam::RKDP45::solve
(
scalar& x,
scalarField& y,
const label li,
scalar& dxTry
) const
{
adaptiveSolver::solve(odes_, x, y, dxTry);
adaptiveSolver::solve(odes_, x, y, li, dxTry);
}

2
src/ODE/ODESolvers/RKDP45/RKDP45.H
View File

@ -120,6 +120,7 @@ public:
(
const scalar x0,
const scalarField& y0,
const label li,
const scalarField& dydx0,
const scalar dx,
scalarField& y
@ -130,6 +131,7 @@ public:
(
scalar& x,
scalarField& y,
const label li,
scalar& dxTry
) const;
};

16
src/ODE/ODESolvers/RKF45/RKF45.C
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2013-2018 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2013-2019 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -115,6 +115,7 @@ Foam::scalar Foam::RKF45::solve
(
const scalar x0,
const scalarField& y0,
const label li,
const scalarField& dydx0,
const scalar dx,
scalarField& y
@ -125,21 +126,21 @@ Foam::scalar Foam::RKF45::solve
yTemp_[i] = y0[i] + a21*dx*dydx0[i];
}
odes_.derivatives(x0 + c2*dx, yTemp_, k2_);
odes_.derivatives(x0 + c2*dx, yTemp_, li, k2_);
forAll(yTemp_, i)
{
yTemp_[i] = y0[i] + dx*(a31*dydx0[i] + a32*k2_[i]);
}
odes_.derivatives(x0 + c3*dx, yTemp_, k3_);
odes_.derivatives(x0 + c3*dx, yTemp_, li, k3_);
forAll(yTemp_, i)
{
yTemp_[i] = y0[i] + dx*(a41*dydx0[i] + a42*k2_[i] + a43*k3_[i]);
}
odes_.derivatives(x0 + c4*dx, yTemp_, k4_);
odes_.derivatives(x0 + c4*dx, yTemp_, li, k4_);
forAll(yTemp_, i)
{
@ -147,7 +148,7 @@ Foam::scalar Foam::RKF45::solve
+ dx*(a51*dydx0[i] + a52*k2_[i] + a53*k3_[i] + a54*k4_[i]);
}
odes_.derivatives(x0 + c5*dx, yTemp_, k5_);
odes_.derivatives(x0 + c5*dx, yTemp_, li, k5_);
forAll(yTemp_, i)
{
@ -156,7 +157,7 @@ Foam::scalar Foam::RKF45::solve
*(a61*dydx0[i] + a62*k2_[i] + a63*k3_[i] + a64*k4_[i] + a65*k5_[i]);
}
odes_.derivatives(x0 + c6*dx, yTemp_, k6_);
odes_.derivatives(x0 + c6*dx, yTemp_, li, k6_);
// Calculate the 5th-order solution
forAll(y, i)
@ -183,10 +184,11 @@ void Foam::RKF45::solve
(
scalar& x,
scalarField& y,
const label li,
scalar& dxTry
) const
{
adaptiveSolver::solve(odes_, x, y, dxTry);
adaptiveSolver::solve(odes_, x, y, li, dxTry);
}

2
src/ODE/ODESolvers/RKF45/RKF45.H
View File

@ -122,6 +122,7 @@ public:
(
const scalar x0,
const scalarField& y0,
const label li,
const scalarField& dydx0,
const scalar dx,
scalarField& y
@ -132,6 +133,7 @@ public:
(
scalar& x,
scalarField& y,
const label li,
scalar& dxTry
) const;
};

10
src/ODE/ODESolvers/Rosenbrock12/Rosenbrock12.C
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2013-2018 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2013-2019 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -94,12 +94,13 @@ Foam::scalar Foam::Rosenbrock12::solve
(
const scalar x0,
const scalarField& y0,
const label li,
const scalarField& dydx0,
const scalar dx,
scalarField& y
) const
{
odes_.jacobian(x0, y0, dfdx_, dfdy_);
odes_.jacobian(x0, y0, li, dfdx_, dfdy_);
for (label i=0; i<n_; i++)
{
@ -127,7 +128,7 @@ Foam::scalar Foam::Rosenbrock12::solve
y[i] = y0[i] + a21*k1_[i];
}
odes_.derivatives(x0 + c2*dx, y, dydx_);
odes_.derivatives(x0 + c2*dx, y, li, dydx_);
forAll(k2_, i)
{
@ -151,10 +152,11 @@ void Foam::Rosenbrock12::solve
(
scalar& x,
scalarField& y,
const label li,
scalar& dxTry
) const
{
adaptiveSolver::solve(odes_, x, y, dxTry);
adaptiveSolver::solve(odes_, x, y, li, dxTry);
}

2
src/ODE/ODESolvers/Rosenbrock12/Rosenbrock12.H
View File

@ -111,6 +111,7 @@ public:
(
const scalar x0,
const scalarField& y0,
const label li,
const scalarField& dydx0,
const scalar dx,
scalarField& y
@ -121,6 +122,7 @@ public:
(
scalar& x,
scalarField& y,
const label li,
scalar& dxTry
) const;
};

10
src/ODE/ODESolvers/Rosenbrock23/Rosenbrock23.C
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2013-2018 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2013-2019 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -108,12 +108,13 @@ Foam::scalar Foam::Rosenbrock23::solve
(
const scalar x0,
const scalarField& y0,
const label li,
const scalarField& dydx0,
const scalar dx,
scalarField& y
) const
{
odes_.jacobian(x0, y0, dfdx_, dfdy_);
odes_.jacobian(x0, y0, li, dfdx_, dfdy_);
for (label i=0; i<n_; i++)
{
@ -141,7 +142,7 @@ Foam::scalar Foam::Rosenbrock23::solve
y[i] = y0[i] + a21*k1_[i];
}
odes_.derivatives(x0 + c2*dx, y, dydx_);
odes_.derivatives(x0 + c2*dx, y, li, dydx_);
forAll(k2_, i)
{
@ -174,10 +175,11 @@ void Foam::Rosenbrock23::solve
(
scalar& x,
scalarField& y,
const label li,
scalar& dxTry
) const
{
adaptiveSolver::solve(odes_, x, y, dxTry);
adaptiveSolver::solve(odes_, x, y, li, dxTry);
}

2
src/ODE/ODESolvers/Rosenbrock23/Rosenbrock23.H
View File

@ -113,6 +113,7 @@ public:
(
const scalar x0,
const scalarField& y0,
const label li,
const scalarField& dydx0,
const scalar dx,
scalarField& y
@ -123,6 +124,7 @@ public:
(
scalar& x,
scalarField& y,
const label li,
scalar& dxTry
) const;
};

12
src/ODE/ODESolvers/Rosenbrock34/Rosenbrock34.C
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2013-2018 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2013-2019 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -154,12 +154,13 @@ Foam::scalar Foam::Rosenbrock34::solve
(
const scalar x0,
const scalarField& y0,
const label li,
const scalarField& dydx0,
const scalar dx,
scalarField& y
) const
{
odes_.jacobian(x0, y0, dfdx_, dfdy_);
odes_.jacobian(x0, y0, li, dfdx_, dfdy_);
for (label i=0; i<n_; i++)
{
@ -187,7 +188,7 @@ Foam::scalar Foam::Rosenbrock34::solve
y[i] = y0[i] + a21*k1_[i];
}
odes_.derivatives(x0 + c2*dx, y, dydx_);
odes_.derivatives(x0 + c2*dx, y, li, dydx_);
forAll(k2_, i)
{
@ -202,7 +203,7 @@ Foam::scalar Foam::Rosenbrock34::solve
y[i] = y0[i] + a31*k1_[i] + a32*k2_[i];
}
odes_.derivatives(x0 + c3*dx, y, dydx_);
odes_.derivatives(x0 + c3*dx, y, li, dydx_);
forAll(k3_, i)
{
@ -235,10 +236,11 @@ void Foam::Rosenbrock34::solve
(
scalar& x,
scalarField& y,
const label li,
scalar& dxTry
) const
{
adaptiveSolver::solve(odes_, x, y, dxTry);
adaptiveSolver::solve(odes_, x, y, li, dxTry);
}

2
src/ODE/ODESolvers/Rosenbrock34/Rosenbrock34.H
View File

@ -124,6 +124,7 @@ public:
(
const scalar x0,
const scalarField& y0,
const label li,
const scalarField& dydx0,
const scalar dx,
scalarField& y
@ -134,6 +135,7 @@ public:
(
scalar& x,
scalarField& y,
const label li,
scalar& dxTry
) const;
};

9
src/ODE/ODESolvers/SIBS/SIBS.C
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2011-2018 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2011-2019 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -92,10 +92,11 @@ void Foam::SIBS::solve
(
scalar& x,
scalarField& y,
const label li,
scalar& dxTry
) const
{
odes_.derivatives(x, y, dydx0_);
odes_.derivatives(x, y, li, dydx0_);
scalar h = dxTry;
bool exitflag = false;
@ -143,7 +144,7 @@ void Foam::SIBS::solve
label k = 0;
yTemp_ = y;
odes_.jacobian(x, y, dfdx_, dfdy_);
odes_.jacobian(x, y, li, dfdx_, dfdy_);
if (x != xNew_ || h != dxTry)
{
@ -170,7 +171,7 @@ void Foam::SIBS::solve
<< exit(FatalError);
}
SIMPR(x, yTemp_, dydx0_, dfdx_, dfdy_, h, nSeq_[k], ySeq_);
SIMPR(x, yTemp_, li, dydx0_, dfdx_, dfdy_, h, nSeq_[k], ySeq_);
scalar xest = sqr(h/nSeq_[k]);
polyExtrapolate(k, xest, ySeq_, y, yErr_, x_p_, d_p_);

2
src/ODE/ODESolvers/SIBS/SIBS.H
View File

@ -90,6 +90,7 @@ class SIBS
(
const scalar xStart,
const scalarField& y,
const label li,
const scalarField& dydx,
const scalarField& dfdx,
const scalarSquareMatrix& dfdy,
@ -136,6 +137,7 @@ public:
(
scalar& x,
scalarField& y,
const label li,
scalar& dxTry
) const;
};

7
src/ODE/ODESolvers/SIBS/SIMPR.C
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2011-2018 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2011-2019 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -31,6 +31,7 @@ void Foam::SIBS::SIMPR
(
const scalar xStart,
const scalarField& y,
const label li,
const scalarField& dydx,
const scalarField& dfdx,
const scalarSquareMatrix& dfdy,
@ -71,7 +72,7 @@ void Foam::SIBS::SIMPR
scalar x = xStart + h;
odes_.derivatives(x, ytemp, yEnd);
odes_.derivatives(x, ytemp, li, yEnd);
for (label nn=2; nn<=nSteps; nn++)
{
@ -89,7 +90,7 @@ void Foam::SIBS::SIMPR
x += h;
odes_.derivatives(x, ytemp, yEnd);
odes_.derivatives(x, ytemp, li, yEnd);
}
for (label i=0; i<n_; i++)
{

8
src/ODE/ODESolvers/Trapezoid/Trapezoid.C
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2013-2018 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2013-2019 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -68,6 +68,7 @@ Foam::scalar Foam::Trapezoid::solve
(
const scalar x0,
const scalarField& y0,
const label li,
const scalarField& dydx0,
const scalar dx,
scalarField& y
@ -80,7 +81,7 @@ Foam::scalar Foam::Trapezoid::solve
}
// Evaluate the system for the predicted state
odes_.derivatives(x0 + dx, y, err_);
odes_.derivatives(x0 + dx, y, li, err_);
// Update the state as the average between the prediction and the correction
// and estimate the error from the difference
@ -98,10 +99,11 @@ void Foam::Trapezoid::solve
(
scalar& x,
scalarField& y,
const label li,
scalar& dxTry
) const
{
adaptiveSolver::solve(odes_, x, y, dxTry);
adaptiveSolver::solve(odes_, x, y, li, dxTry);
}

2
src/ODE/ODESolvers/Trapezoid/Trapezoid.H
View File

@ -87,6 +87,7 @@ public:
(
const scalar x0,
const scalarField& y0,
const label li,
const scalarField& dydx0,
const scalar dx,
scalarField& y
@ -97,6 +98,7 @@ public:
(
scalar& x,
scalarField& y,
const label li,
scalar& dxTry
) const;
};

7
src/ODE/ODESolvers/adaptiveSolver/adaptiveSolver.C
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2011-2018 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2011-2019 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -60,20 +60,21 @@ void Foam::adaptiveSolver::solve
const ODESystem& odes,
scalar& x,
scalarField& y,
const label li,
scalar& dxTry
) const
{
scalar dx = dxTry;
scalar err = 0.0;
odes.derivatives(x, y, dydx0_);
odes.derivatives(x, y, li, dydx0_);
// Loop over solver and adjust step-size as necessary
// to achieve desired error
do
{
// Solve step and provide error estimate
err = solve(x, y, dydx0_, dx, yTemp_);
err = solve(x, y, li, dydx0_, dx, yTemp_);
// If error is large reduce dx
if (err > 1)

2
src/ODE/ODESolvers/adaptiveSolver/adaptiveSolver.H
View File

@ -82,6 +82,7 @@ public:
(
const scalar x0,
const scalarField& y0,
const label li,
const scalarField& dydx0,
const scalar dx,
scalarField& y
@ -93,6 +94,7 @@ public:
const ODESystem& ode,
scalar& x,
scalarField& y,
const label li,
scalar& dxTry
) const;
};

12
src/ODE/ODESolvers/rodas23/rodas23.C
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2013-2018 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2013-2019 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -100,12 +100,13 @@ Foam::scalar Foam::rodas23::solve
(
const scalar x0,
const scalarField& y0,
const label li,
const scalarField& dydx0,
const scalar dx,
scalarField& y
) const
{
odes_.jacobian(x0, y0, dfdx_, dfdy_);
odes_.jacobian(x0, y0, li, dfdx_, dfdy_);
for (label i=0; i<n_; i++)
{
@ -142,7 +143,7 @@ Foam::scalar Foam::rodas23::solve
y[i] = y0[i] + dy_[i];
}
odes_.derivatives(x0 + dx, y, dydx_);
odes_.derivatives(x0 + dx, y, li, dydx_);
forAll(k3_, i)
{
@ -158,7 +159,7 @@ Foam::scalar Foam::rodas23::solve
y[i] = y0[i] + dy_[i];
}
odes_.derivatives(x0 + dx, y, dydx_);
odes_.derivatives(x0 + dx, y, li, dydx_);
forAll(err_, i)
{
@ -180,10 +181,11 @@ void Foam::rodas23::solve
(
scalar& x,
scalarField& y,
const label li,
scalar& dxTry
) const
{
adaptiveSolver::solve(odes_, x, y, dxTry);
adaptiveSolver::solve(odes_, x, y, li, dxTry);
}

2
src/ODE/ODESolvers/rodas23/rodas23.H
View File

@ -113,6 +113,7 @@ public:
(
const scalar x0,
const scalarField& y0,
const label li,
const scalarField& dydx0,
const scalar dx,
scalarField& y
@ -123,6 +124,7 @@ public:
(
scalar& x,
scalarField& y,
const label li,
scalar& dxTry
) const;
};

18
src/ODE/ODESolvers/rodas34/rodas34.C
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2013-2018 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2013-2019 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -125,12 +125,13 @@ Foam::scalar Foam::rodas34::solve
(
const scalar x0,
const scalarField& y0,
const label li,
const scalarField& dydx0,
const scalar dx,
scalarField& y
) const
{
odes_.jacobian(x0, y0, dfdx_, dfdy_);
odes_.jacobian(x0, y0, li, dfdx_, dfdy_);
for (label i=0; i<n_; i++)
{
@ -158,7 +159,7 @@ Foam::scalar Foam::rodas34::solve
y[i] = y0[i] + a21*k1_[i];
}
odes_.derivatives(x0 + c2*dx, y, dydx_);
odes_.derivatives(x0 + c2*dx, y, li, dydx_);
forAll(k2_, i)
{
@ -173,7 +174,7 @@ Foam::scalar Foam::rodas34::solve
y[i] = y0[i] + a31*k1_[i] + a32*k2_[i];
}
odes_.derivatives(x0 + c3*dx, y, dydx_);
odes_.derivatives(x0 + c3*dx, y, li, dydx_);
forAll(k3_, i)
{
@ -188,7 +189,7 @@ Foam::scalar Foam::rodas34::solve
y[i] = y0[i] + a41*k1_[i] + a42*k2_[i] + a43*k3_[i];
}
odes_.derivatives(x0 + c4*dx, y, dydx_);
odes_.derivatives(x0 + c4*dx, y, li, dydx_);
forAll(k4_, i)
{
@ -205,7 +206,7 @@ Foam::scalar Foam::rodas34::solve
y[i] = y0[i] + dy_[i];
}
odes_.derivatives(x0 + dx, y, dydx_);
odes_.derivatives(x0 + dx, y, li, dydx_);
forAll(k5_, i)
{
@ -222,7 +223,7 @@ Foam::scalar Foam::rodas34::solve
y[i] = y0[i] + dy_[i];
}
odes_.derivatives(x0 + dx, y, dydx_);
odes_.derivatives(x0 + dx, y, li, dydx_);
forAll(err_, i)
{
@ -245,10 +246,11 @@ void Foam::rodas34::solve
(
scalar& x,
scalarField& y,
const label li,
scalar& dxTry
) const
{
adaptiveSolver::solve(odes_, x, y, dxTry);
adaptiveSolver::solve(odes_, x, y, li, dxTry);
}

2
src/ODE/ODESolvers/rodas34/rodas34.H
View File

@ -117,6 +117,7 @@ public:
(
const scalar x0,
const scalarField& y0,
const label li,
const scalarField& dydx0,
const scalar dx,
scalarField& y
@ -127,6 +128,7 @@ public:
(
scalar& x,
scalarField& y,
const label li,
scalar& dxTry
) const;
};

16
src/ODE/ODESolvers/seulex/seulex.C
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2013-2018 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2013-2019 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -104,6 +104,7 @@ bool Foam::seulex::seul
(
const scalar x0,
const scalarField& y0,
const label li,
const scalar dxTot,
const label k,
scalarField& y,
@ -126,7 +127,7 @@ bool Foam::seulex::seul
LUDecompose(a_, pivotIndices_);
scalar xnew = x0 + dx;
odes_.derivatives(xnew, y0, dy_);
odes_.derivatives(xnew, y0, li, dy_);
LUBacksubstitute(a_, pivotIndices_, dy_);
yTemp_ = y0;
@ -145,7 +146,7 @@ bool Foam::seulex::seul
}
dy1 = sqrt(dy1);
odes_.derivatives(x0 + dx, yTemp_, dydx_);
odes_.derivatives(x0 + dx, yTemp_, li, dydx_);
for (label i=0; i<n_; i++)
{
dy_[i] = dydx_[i] - dy_[i]/dx;
@ -181,7 +182,7 @@ bool Foam::seulex::seul
}
}
odes_.derivatives(xnew, yTemp_, dy_);
odes_.derivatives(xnew, yTemp_, li, dy_);
LUBacksubstitute(a_, pivotIndices_, dy_);
}
@ -246,6 +247,7 @@ void Foam::seulex::solve
(
scalar& x,
scalarField& y,
const label li,
stepState& step
) const
{
@ -275,7 +277,7 @@ void Foam::seulex::solve
if (theta_ > jacRedo_)
{
odes_.jacobian(x, y, dfdx_, dfdy_);
odes_.jacobian(x, y, li, dfdx_, dfdy_);
jacUpdated = true;
}
@ -299,7 +301,7 @@ void Foam::seulex::solve
for (k=0; k<=kTarg_+1; k++)
{
bool success = seul(x, y0_, dx, k, ySequence_, scale_);
bool success = seul(x, y0_, li, dx, k, ySequence_, scale_);
if (!success)
{
@ -427,7 +429,7 @@ void Foam::seulex::solve
if (theta_ > jacRedo_ && !jacUpdated)
{
odes_.jacobian(x, y, dfdx_, dfdy_);
odes_.jacobian(x, y, li, dfdx_, dfdy_);
jacUpdated = true;
}
}

2
src/ODE/ODESolvers/seulex/seulex.H
View File

@ -108,6 +108,7 @@ class seulex
(
const scalar x0,
const scalarField& y0,
const label li,
const scalar dxTot,
const label k,
scalarField& y,
@ -150,6 +151,7 @@ public:
(
scalar& x,
scalarField& y,
const label li,
stepState& step
) const;
};

10
src/ODE/ODESystem/ODESystem.H
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2011-2018 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2011-2019 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -67,19 +67,25 @@ public:
virtual label nEqns() const = 0;
//- Calculate the derivatives in dydx
// for the current state x and y
// and optional index into the list of systems to solve li
virtual void derivatives
(
const scalar x,
const scalarField& y,
const label li,
scalarField& dydx
) const = 0;
//- Calculate the Jacobian of the system
// Need by the stiff-system solvers
// for the current state x and y
// and optional index into the list of systems to solve li.
// Need by stiff-system solvers
virtual void jacobian
(
const scalar x,
const scalarField& y,
const label li,
scalarField& dfdx,
scalarSquareMatrix& dfdy
) const = 0;

33
src/thermophysicalModels/chemistryModel/chemistryModel/StandardChemistryModel/StandardChemistryModel.C
View File

@ -103,9 +103,10 @@ Foam::StandardChemistryModel<ReactionThermo, ThermoType>::
template<class ReactionThermo, class ThermoType>
void Foam::StandardChemistryModel<ReactionThermo, ThermoType>::omega
(
const scalarField& c,
const scalar T,
const scalar p,
const scalar T,
const scalarField& c,
const label li,
scalarField& dcdt
) const
{
@ -116,7 +117,7 @@ void Foam::StandardChemistryModel<ReactionThermo, ThermoType>::omega
{
const Reaction<ThermoType>& R = reactions_[i];
R.omega(p, T, c, dcdt);
R.omega(p, T, c, li, dcdt);
}
}
@ -125,9 +126,10 @@ template<class ReactionThermo, class ThermoType>
Foam::scalar Foam::StandardChemistryModel<ReactionThermo, ThermoType>::omegaI
(
const label index,
const scalarField& c,
const scalar T,
const scalar p,
const scalar T,
const scalarField& c,
const label li,
scalar& pf,
scalar& cf,
label& lRef,
@ -137,7 +139,7 @@ Foam::scalar Foam::StandardChemistryModel<ReactionThermo, ThermoType>::omegaI
) const
{
const Reaction<ThermoType>& R = reactions_[index];
scalar w = R.omega(p, T, c, pf, cf, lRef, pr, cr, rRef);
scalar w = R.omega(p, T, c, li, pf, cf, lRef, pr, cr, rRef);
return(w);
}
@ -147,6 +149,7 @@ void Foam::StandardChemistryModel<ReactionThermo, ThermoType>::derivatives
(
const scalar time,
const scalarField& c,
const label li,
scalarField& dcdt
) const
{
@ -158,7 +161,7 @@ void Foam::StandardChemistryModel<ReactionThermo, ThermoType>::derivatives
c_[i] = max(c[i], 0);
}
omega(c_, T, p, dcdt);
omega(p, T, c_, li, dcdt);
// Constant pressure
// dT/dt = ...
@ -197,6 +200,7 @@ void Foam::StandardChemistryModel<ReactionThermo, ThermoType>::jacobian
(
const scalar t,
const scalarField& c,
const label li,
scalarField& dcdt,
scalarSquareMatrix& J
) const
@ -227,8 +231,8 @@ void Foam::StandardChemistryModel<ReactionThermo, ThermoType>::jacobian
{
const Reaction<ThermoType>& R = reactions_[ri];
scalar kfwd, kbwd;
R.dwdc(p, T, c_, J, dcdt, omegaI, kfwd, kbwd, false, dummy);
R.dwdT(p, T, c_, omegaI, kfwd, kbwd, J, false, dummy, nSpecie_);
R.dwdc(p, T, c_, li, J, dcdt, omegaI, kfwd, kbwd, false, dummy);
R.dwdT(p, T, c_, li, omegaI, kfwd, kbwd, J, false, dummy, nSpecie_);
}
// The species derivatives of the temperature term are partially computed
@ -318,7 +322,7 @@ Foam::StandardChemistryModel<ReactionThermo, ThermoType>::tc() const
{
const Reaction<ThermoType>& R = reactions_[i];
R.omega(pi, Ti, c_, pf, cf, lRef, pr, cr, rRef);
R.omega(pi, Ti, c_, celli, pf, cf, lRef, pr, cr, rRef);
forAll(R.rhs(), s)
{
@ -410,7 +414,10 @@ Foam::StandardChemistryModel<ReactionThermo, ThermoType>::calculateRR
}
const Reaction<ThermoType>& R = reactions_[ri];
const scalar omegai = R.omega(pi, Ti, c_, pf, cf, lRef, pr, cr, rRef);
const scalar omegai = R.omega
(
pi, Ti, c_, celli, pf, cf, lRef, pr, cr, rRef
);
forAll(R.lhs(), s)
{
@ -461,7 +468,7 @@ void Foam::StandardChemistryModel<ReactionThermo, ThermoType>::calculate()
c_[i] = rhoi*Yi/specieThermo_[i].W();
}
omega(c_, Ti, pi, dcdt_);
omega(pi, Ti, c_, celli, dcdt_);
for (label i=0; i<nSpecie_; i++)
{
@ -517,7 +524,7 @@ Foam::scalar Foam::StandardChemistryModel<ReactionThermo, ThermoType>::solve
while (timeLeft > small)
{
scalar dt = timeLeft;
this->solve(c_, Ti, pi, dt, this->deltaTChem_[celli]);
this->solve(pi, Ti, c_, celli, dt, this->deltaTChem_[celli]);
timeLeft -= dt;
}

17
src/thermophysicalModels/chemistryModel/chemistryModel/StandardChemistryModel/StandardChemistryModel.H
View File

@ -154,9 +154,10 @@ public:
//- dc/dt = omega, rate of change in concentration, for each species
virtual void omega
(
const scalarField& c,
const scalar T,
const scalar p,
const scalar T,
const scalarField& c,
const label li,
scalarField& dcdt
) const;
@ -166,9 +167,10 @@ public:
virtual scalar omegaI
(
label iReaction,
const scalarField& c,
const scalar T,
const scalar p,
const scalar T,
const scalarField& c,
const label li,
scalar& pf,
scalar& cf,
label& lRef,
@ -227,6 +229,7 @@ public:
(
const scalar t,
const scalarField& c,
const label li,
scalarField& dcdt
) const;
@ -234,15 +237,17 @@ public:
(
const scalar t,
const scalarField& c,
const label li,
scalarField& dcdt,
scalarSquareMatrix& J
) const;
virtual void solve
(
scalarField &c,
scalar& T,
scalar& p,
scalar& T,
scalarField& c,
const label li,
scalar& deltaT,
scalar& subDeltaT
) const = 0;

35
src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/TDACChemistryModel.C
View File

@ -149,9 +149,10 @@ Foam::TDACChemistryModel<ReactionThermo, ThermoType>::~TDACChemistryModel()
template<class ReactionThermo, class ThermoType>
void Foam::TDACChemistryModel<ReactionThermo, ThermoType>::omega
(
const scalarField& c, // Contains all species even when mechRed is active
const scalar T,
const scalar p,
const scalar T,
const scalarField& c, // Contains all species even when mechRed is active
const label li,
scalarField& dcdt
) const
{
@ -170,7 +171,7 @@ void Foam::TDACChemistryModel<ReactionThermo, ThermoType>::omega
scalar omegai = R.omega
(
p, T, c, pf, cf, lRef, pr, cr, rRef
p, T, c, li, pf, cf, lRef, pr, cr, rRef
);
forAll(R.lhs(), s)
@ -204,9 +205,10 @@ template<class ReactionThermo, class ThermoType>
Foam::scalar Foam::TDACChemistryModel<ReactionThermo, ThermoType>::omega
(
const Reaction<ThermoType>& R,
const scalarField& c, // Contains all species even when mechRed is active
const scalar T,
const scalar p,
const scalar T,
const scalarField& c, // Contains all species even when mechRed is active
const label li,
scalar& pf,
scalar& cf,
label& lRef,
@ -215,8 +217,8 @@ Foam::scalar Foam::TDACChemistryModel<ReactionThermo, ThermoType>::omega
label& rRef
) const
{
const scalar kf = R.kf(p, T, c);
const scalar kr = R.kr(kf, p, T, c);
const scalar kf = R.kf(p, T, c, li);
const scalar kr = R.kr(kf, p, T, c, li);
const label Nl = R.lhs().size();
const label Nr = R.rhs().size();
@ -314,6 +316,7 @@ void Foam::TDACChemistryModel<ReactionThermo, ThermoType>::derivatives
(
const scalar time,
const scalarField& c,
const label li,
scalarField& dcdt
) const
{
@ -345,7 +348,7 @@ void Foam::TDACChemistryModel<ReactionThermo, ThermoType>::derivatives
}
}
omega(this->c_, T, p, dcdt);
omega(p, T, this->c_, li, dcdt);
// Constant pressure
// dT/dt = ...
@ -398,6 +401,7 @@ void Foam::TDACChemistryModel<ReactionThermo, ThermoType>::jacobian
(
const scalar t,
const scalarField& c,
const label li,
scalarField& dcdt,
scalarSquareMatrix& J
) const
@ -451,6 +455,7 @@ void Foam::TDACChemistryModel<ReactionThermo, ThermoType>::jacobian
p,
T,
this->c_,
li,
J,
dcdt,
omegaI,
@ -464,6 +469,7 @@ void Foam::TDACChemistryModel<ReactionThermo, ThermoType>::jacobian
p,
T,
this->c_,
li,
omegaI,
kfwd,
kbwd,
@ -651,7 +657,7 @@ Foam::scalar Foam::TDACChemistryModel<ReactionThermo, ThermoType>::solve
if (reduced)
{
// Reduce mechanism change the number of species (only active)
mechRed_->reduceMechanism(c, Ti, pi);
mechRed_->reduceMechanism(pi, Ti, c, celli);
nActiveSpecies += mechRed_->NsSimp();
nAvg++;
scalar timeIncr = clockTime_.timeIncrement();
@ -672,7 +678,12 @@ Foam::scalar Foam::TDACChemistryModel<ReactionThermo, ThermoType>::solve
// Solve the reduced set of ODE
this->solve
(
simplifiedC_, Ti, pi, dt, this->deltaTChem_[celli]
pi,
Ti,
simplifiedC_,
celli,
dt,
this->deltaTChem_[celli]
);
for (label i=0; i<NsDAC_; i++)
@ -682,7 +693,7 @@ Foam::scalar Foam::TDACChemistryModel<ReactionThermo, ThermoType>::solve
}
else
{
this->solve(c, Ti, pi, dt, this->deltaTChem_[celli]);
this->solve(pi, Ti, c, celli, dt, this->deltaTChem_[celli]);
}
timeLeft -= dt;
}
@ -713,7 +724,7 @@ Foam::scalar Foam::TDACChemistryModel<ReactionThermo, ThermoType>::solve
Rphiq[Rphiq.size()-1] = pi;
}
label growOrAdd =
tabulation_->add(phiq, Rphiq, rhoi, deltaT[celli]);
tabulation_->add(phiq, Rphiq, celli, rhoi, deltaT[celli]);
if (growOrAdd)
{
this->setTabulationResultsAdd(celli);

17
src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/TDACChemistryModel.H
View File

@ -173,9 +173,10 @@ public:
//- dc/dt = omega, rate of change in concentration, for each species
virtual void omega
(
const scalarField& c,
const scalar T,
const scalar p,
const scalar T,
const scalarField& c,
const label li,
scalarField& dcdt
) const;
@ -184,9 +185,10 @@ public:
virtual scalar omega
(
const Reaction<ThermoType>& r,
const scalarField& c,
const scalar T,
const scalar p,
const scalar T,
const scalarField& c,
const label li,
scalar& pf,
scalar& cf,
label& lRef,
@ -215,6 +217,7 @@ public:
(
const scalar t,
const scalarField& c,
const label li,
scalarField& dcdt
) const;
@ -222,15 +225,17 @@ public:
(
const scalar t,
const scalarField& c,
const label li,
scalarField& dcdt,
scalarSquareMatrix& J
) const;
virtual void solve
(
scalarField& c,
scalar& T,
scalar& p,
scalar& T,
scalarField& c,
const label li,
scalar& deltaT,
scalar& subDeltaT
) const = 0;

10
src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/reduction/DAC/DAC.C
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2016-2018 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2016-2019 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -270,9 +270,10 @@ Foam::chemistryReductionMethods::DAC<CompType, ThermoType>::~DAC()
template<class CompType, class ThermoType>
void Foam::chemistryReductionMethods::DAC<CompType, ThermoType>::reduceMechanism
(
const scalarField &c,
const scalar p,
const scalar T,
const scalar p
const scalarField& c,
const label li
)
{
scalarField& completeC(this->chemistry_.completeC());
@ -303,10 +304,11 @@ void Foam::chemistryReductionMethods::DAC<CompType, ThermoType>::reduceMechanism
forAll(this->chemistry_.reactions(), i)
{
const Reaction<ThermoType>& R = this->chemistry_.reactions()[i];
// for each reaction compute omegai
scalar omegai = this->chemistry_.omega
(
R, c1, T, p, pf, cf, lRef, pr, cr, rRef
R, p, T, c1, li, pf, cf, lRef, pr, cr, rRef
);
// Then for each pair of species composing this reaction,

5
src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/reduction/DAC/DAC.H
View File

@ -147,9 +147,10 @@ public:
//- Reduce the mechanism
virtual void reduceMechanism
(
const scalarField &c,
const scalar p,
const scalar T,
const scalar p
const scalarField& c,
const label li
);
};

10
src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/reduction/DRG/DRG.C
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2016-2018 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2016-2019 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -69,9 +69,10 @@ Foam::chemistryReductionMethods::DRG<CompType, ThermoType>::~DRG()
template<class CompType, class ThermoType>
void Foam::chemistryReductionMethods::DRG<CompType, ThermoType>::reduceMechanism
(
const scalarField &c,
const scalar p,
const scalar T,
const scalar p
const scalarField& c,
const label li
)
{
scalarField c1(this->nSpecie_+2, 0.0);
@ -102,10 +103,11 @@ void Foam::chemistryReductionMethods::DRG<CompType, ThermoType>::reduceMechanism
forAll(this->chemistry_.reactions(), i)
{
const Reaction<ThermoType>& R = this->chemistry_.reactions()[i];
// For each reaction compute omegai
scalar omegai = this->chemistry_.omega
(
R, c1, T, p, pf, cf, lRef, pr, cr, rRef
R, p, T, c1, li, pf, cf, lRef, pr, cr, rRef
);

5
src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/reduction/DRG/DRG.H
View File

@ -83,9 +83,10 @@ public:
//- Reduce the mechanism
virtual void reduceMechanism
(
const scalarField &c,
const scalar p,
const scalar T,
const scalar p
const scalarField& c,
const label li
);
};

9
src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/reduction/DRGEP/DRGEP.C
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2016-2018 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2016-2019 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -115,9 +115,10 @@ template<class CompType, class ThermoType>
void Foam::chemistryReductionMethods::DRGEP<CompType, ThermoType>::
reduceMechanism
(
const scalarField &c,
const scalar p,
const scalar T,
const scalar p
const scalarField& c,
const label li
)
{
scalarField& completeC(this->chemistry_.completeC());
@ -153,7 +154,7 @@ reduceMechanism
// for each reaction compute omegai
scalar omegai = this->chemistry_.omega
(
R, c1, T, p, pf, cf, lRef, pr, cr, rRef
R, p,T, c1, li, pf, cf, lRef, pr, cr, rRef
);
omegaV[i] = omegai;

5
src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/reduction/DRGEP/DRGEP.H
View File

@ -154,9 +154,10 @@ public:
//- Reduce the mechanism
virtual void reduceMechanism
(
const scalarField &c,
const scalar p,
const scalar T,
const scalar p
const scalarField& c,
const label li
);
};

10
src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/reduction/EFA/EFA.C
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2016-2018 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2016-2019 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -94,9 +94,10 @@ Foam::chemistryReductionMethods::EFA<CompType, ThermoType>::~EFA()
template<class CompType, class ThermoType>
void Foam::chemistryReductionMethods::EFA<CompType, ThermoType>::reduceMechanism
(
const scalarField &c,
const scalar p,
const scalar T,
const scalar p
const scalarField& c,
const label li
)
{
scalarField& completeC(this->chemistry_.completeC());
@ -132,10 +133,11 @@ void Foam::chemistryReductionMethods::EFA<CompType, ThermoType>::reduceMechanism
forAll(this->chemistry_.reactions(), i)
{
const Reaction<ThermoType>& R = this->chemistry_.reactions()[i];
// for each reaction compute omegai
this->chemistry_.omega
(
R, c1, T, p, pf, cf, lRef, pr, cr, rRef
R, p, T, c1, li, pf, cf, lRef, pr, cr, rRef
);
scalar fr = mag(pf*cf)+mag(pr*cr);
scalar NCi(0.0),NHi(0.0),NOi(0.0),NNi(0.0);

5
src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/reduction/EFA/EFA.H
View File

@ -80,9 +80,10 @@ public:
//- Reduce the mechanism
virtual void reduceMechanism
(
const scalarField &c,
const scalar p,
const scalar T,
const scalar p
const scalarField& c,
const label li
);
};

9
src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/reduction/PFA/PFA.C
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2016-2018 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2016-2019 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -72,9 +72,10 @@ Foam::chemistryReductionMethods::PFA<CompType, ThermoType>::~PFA()
template<class CompType, class ThermoType>
void Foam::chemistryReductionMethods::PFA<CompType, ThermoType>::reduceMechanism
(
const scalarField &c,
const scalar p,
const scalar T,
const scalar p
const scalarField& c,
const label li
)
{
scalarField& completeC(this->chemistry_.completeC());
@ -110,7 +111,7 @@ void Foam::chemistryReductionMethods::PFA<CompType, ThermoType>::reduceMechanism
// for each reaction compute omegai
scalar omegai = this->chemistry_.omega
(
R, c1, T, p, pf, cf, lRef, pr, cr, rRef
R, p, T, c1, li, pf, cf, lRef, pr, cr, rRef
);
// then for each pair of species composing this reaction,

5
src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/reduction/PFA/PFA.H
View File

@ -82,9 +82,10 @@ public:
//- Reduce the mechanism
virtual void reduceMechanism
(
const scalarField &c,
const scalar p,
const scalar T,
const scalar p
const scalarField& c,
const label li
);
};

7
src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/reduction/chemistryReductionMethod/chemistryReductionMethod.H
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2016-2018 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2016-2019 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -149,9 +149,10 @@ public:
//- Reduce the mechanism
virtual void reduceMechanism
(
const scalarField &c,
const scalar p,
const scalar T,
const scalar p
const scalarField& c,
const label li
) = 0;
};

7
src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/reduction/noChemistryReduction/noChemistryReduction.C
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2016-2018 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2016-2019 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -53,9 +53,10 @@ template<class CompType, class ThermoType>
void Foam::chemistryReductionMethods::none<CompType, ThermoType>::
reduceMechanism
(
const scalarField &c,
const scalar p,
const scalar T,
const scalar p
const scalarField& c,
const label li
)
{
NotImplemented;

7
src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/reduction/noChemistryReduction/noChemistryReduction.H
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2016-2018 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2016-2019 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -76,9 +76,10 @@ public:
//- Reduce the mechanism
virtual void reduceMechanism
(
const scalarField &c,
const scalar p,
const scalar T,
const scalar p
const scalarField& c,
const label li
);
};

8
src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/ISAT/ISAT.C
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2016-2018 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2016-2019 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -341,6 +341,7 @@ void Foam::chemistryTabulationMethods::ISAT<CompType, ThermoType>::computeA
(
scalarSquareMatrix& A,
const scalarField& Rphiq,
const label li,
const scalar rhoi,
const scalar dt
)
@ -374,7 +375,7 @@ void Foam::chemistryTabulationMethods::ISAT<CompType, ThermoType>::computeA
// A = C(psi0,t0)/(I-dt*J(psi(t0+dt)))
// where C(psi0,t0) = I
scalarField dcdt(speciesNumber + 2, Zero);
this->chemistry_.jacobian(runTime_.value(), Rcq, dcdt, A);
this->chemistry_.jacobian(runTime_.value(), Rcq, li, dcdt, A);
// The jacobian is computed according to the molar concentration
// the following conversion allows the code to use A with mass fraction
@ -536,6 +537,7 @@ Foam::label Foam::chemistryTabulationMethods::ISAT<CompType, ThermoType>::add
(
const scalarField& phiq,
const scalarField& Rphiq,
const label li,
const scalar rho,
const scalar deltaT
)
@ -614,7 +616,7 @@ Foam::label Foam::chemistryTabulationMethods::ISAT<CompType, ThermoType>::add
// Compute the A matrix needed to store the chemPoint.
label ASize = this->chemistry_.nEqns() + nAdditionalEqns_ - 2;
scalarSquareMatrix A(ASize, Zero);
computeA(A, Rphiq, rho, deltaT);
computeA(A, Rphiq, li, rho, deltaT);
chemisTree().insertNewLeaf
(

2
src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/ISAT/ISAT.H
View File

@ -168,6 +168,7 @@ class ISAT
(
scalarSquareMatrix& A,
const scalarField& Rphiq,
const label li,
const scalar rho,
const scalar dt
);
@ -232,6 +233,7 @@ public:
(
const scalarField& phiq,
const scalarField& Rphiq,
const label li,
const scalar rho,
const scalar deltaT
);

3
src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/chemistryTabulationMethod/chemistryTabulationMethod.H
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2016-2018 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2016-2019 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -161,6 +161,7 @@ public:
(
const scalarField& phiQ,
const scalarField& RphiQ,
const label li,
const scalar rho,
const scalar deltaT
) = 0;

1
src/thermophysicalModels/chemistryModel/chemistryModel/TDACChemistryModel/tabulation/noChemistryTabulation/noChemistryTabulation.H
View File

@ -105,6 +105,7 @@ public:
(
const scalarField& phiq,
const scalarField& Rphiq,
const label li,
const scalar rho,
const scalar deltaT
)

13
src/thermophysicalModels/chemistryModel/chemistrySolver/EulerImplicit/EulerImplicit.C
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2011-2018 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2011-2019 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -91,9 +91,10 @@ void Foam::EulerImplicit<ChemistryModel>::updateRRInReactionI
template<class ChemistryModel>
void Foam::EulerImplicit<ChemistryModel>::solve
(
scalarField& c,
scalar& T,
scalar& p,
scalar& T,
scalarField& c,
const label li,
scalar& deltaT,
scalar& subDeltaT
) const
@ -124,8 +125,10 @@ void Foam::EulerImplicit<ChemistryModel>::solve
scalar pf, cf, pr, cr;
label lRef, rRef;
const scalar omegai =
this->omegaI(i, c, T, p, pf, cf, lRef, pr, cr, rRef);
const scalar omegai
(
this->omegaI(i, p, T, c, li, pf, cf, lRef, pr, cr, rRef)
);
scalar corr = 1;
if (eqRateLimiter_)

5
src/thermophysicalModels/chemistryModel/chemistrySolver/EulerImplicit/EulerImplicit.H
View File

@ -107,9 +107,10 @@ public:
//- Update the concentrations and return the chemical time
virtual void solve
(
scalarField& c,
scalar& T,
scalar& p,
scalar& T,
scalarField& c,
const label li,
scalar& deltaT,
scalar& subDeltaT
) const;

7
src/thermophysicalModels/chemistryModel/chemistrySolver/chemistrySolver/chemistrySolver.H
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2011-2018 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2011-2019 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -70,9 +70,10 @@ public:
//- Update the concentrations and return the chemical time
virtual void solve
(
scalarField &c,
scalar& T,
scalar& p,
scalar& T,
scalarField& c,
const label li,
scalar& deltaT,
scalar& subDeltaT
) const = 0;

7
src/thermophysicalModels/chemistryModel/chemistrySolver/noChemistrySolver/noChemistrySolver.C
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2011-2018 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2011-2019 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -50,9 +50,10 @@ Foam::noChemistrySolver<ChemistryModel>::~noChemistrySolver()
template<class ChemistryModel>
void Foam::noChemistrySolver<ChemistryModel>::solve
(
scalar&,
scalar&,
scalarField&,
scalar&,
scalar&,
const label li,
scalar&,
scalar&
) const

7
src/thermophysicalModels/chemistryModel/chemistrySolver/noChemistrySolver/noChemistrySolver.H
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2011-2018 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2011-2019 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -74,9 +74,10 @@ public:
//- Update the concentrations and return the chemical time
virtual void solve
(
scalarField& c,
scalar& T,
scalar& p,
scalar& T,
scalarField& c,
const label li,
scalar& deltaT,
scalar& subDeltaT
) const;

9
src/thermophysicalModels/chemistryModel/chemistrySolver/ode/ode.C
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2011-2018 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2011-2019 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -49,9 +49,10 @@ Foam::ode<ChemistryModel>::~ode()
template<class ChemistryModel>
void Foam::ode<ChemistryModel>::solve
(
scalarField& c,
scalar& T,
scalar& p,
scalar& T,
scalarField& c,
const label li,
scalar& deltaT,
scalar& subDeltaT
) const
@ -73,7 +74,7 @@ void Foam::ode<ChemistryModel>::solve
cTp_[nSpecie] = T;
cTp_[nSpecie+1] = p;
odeSolver_->solve(0, deltaT, cTp_, subDeltaT);
odeSolver_->solve(0, deltaT, cTp_, li, subDeltaT);
for (int i=0; i<nSpecie; i++)
{

5
src/thermophysicalModels/chemistryModel/chemistrySolver/ode/ode.H
View File

@ -83,9 +83,10 @@ public:
//- Update the concentrations and return the chemical time
virtual void solve
(
scalarField& c,
scalar& T,
scalar& p,
scalar& T,
scalarField& c,
const label li,
scalar& deltaT,
scalar& subDeltaT
) const;

64
src/thermophysicalModels/solidChemistryModel/pyrolysisChemistryModel/pyrolysisChemistryModel.C
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2013-2018 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2013-2019 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -48,8 +48,7 @@ pyrolysisChemistryModel
nGases_(pyrolisisGases_.size()),
nSpecie_(this->Ys_.size() + nGases_),
RRg_(nGases_),
Ys0_(this->nSolids_),
cellCounter_(0)
Ys0_(this->nSolids_)
{
// create the fields for the chemistry sources
forAll(this->RRs_, fieldi)
@ -184,17 +183,16 @@ template<class CompType, class SolidThermo, class GasThermo>
Foam::scalarField Foam::
pyrolysisChemistryModel<CompType, SolidThermo, GasThermo>::omega
(
const scalarField& c,
const scalar T,
const scalar p,
const scalar T,
const scalarField& c,
const label li,
const bool updateC0
) const
{
scalar pf, cf, pr, cr;
label lRef, rRef;
const label celli = cellCounter_;
scalarField om(nEqns(), 0.0);
forAll(this->reactions_, i)
@ -207,7 +205,7 @@ pyrolysisChemistryModel<CompType, SolidThermo, GasThermo>::omega
scalar omegai = omega
(
R, c, T, p, pf, cf, lRef, pr, cr, rRef
R, p, T, c, li, pf, cf, lRef, pr, cr, rRef
);
scalar rhoL = 0.0;
forAll(R.lhs(), s)
@ -226,7 +224,7 @@ pyrolysisChemistryModel<CompType, SolidThermo, GasThermo>::omega
if (updateC0)
{
Ys0_[si][celli] += sr*omegai;
Ys0_[si][li] += sr*omegai;
}
}
forAll(R.grhs(), g)
@ -245,9 +243,10 @@ Foam::scalar
Foam::pyrolysisChemistryModel<CompType, SolidThermo, GasThermo>::omega
(
const Reaction<SolidThermo>& R,
const scalarField& c,
const scalar T,
const scalar p,
const scalar T,
const scalarField& c,
const label li,
scalar& pf,
scalar& cf,
label& lRef,
@ -258,14 +257,12 @@ Foam::pyrolysisChemistryModel<CompType, SolidThermo, GasThermo>::omega
{
scalarField c1(nSpecie_, 0.0);
label celli = cellCounter_;
for (label i=0; i<nSpecie_; i++)
{
c1[i] = max(0.0, c[i]);
}
scalar kf = R.kf(p, T, c1);
scalar kf = R.kf(p, T, c1, li);
const label Nl = R.lhs().size();
@ -275,8 +272,8 @@ Foam::pyrolysisChemistryModel<CompType, SolidThermo, GasThermo>::omega
const scalar exp = R.lhs()[si].exponent;
kf *=
pow(c1[si]/Ys0_[si][celli], exp)
*(Ys0_[si][celli]);
pow(c1[si]/Ys0_[si][li], exp)
*(Ys0_[si][li]);
}
return kf;
@ -288,9 +285,10 @@ Foam::scalar Foam::pyrolysisChemistryModel<CompType, SolidThermo, GasThermo>::
omegaI
(
const label index,
const scalarField& c,
const scalar T,
const scalar p,
const scalar T,
const scalarField& c,
const label li,
scalar& pf,
scalar& cf,
label& lRef,
@ -301,7 +299,7 @@ omegaI
{
const Reaction<SolidThermo>& R = this->reactions_[index];
scalar w = omega(R, c, T, p, pf, cf, lRef, pr, cr, rRef);
scalar w = omega(R, p, T, c, li, pf, cf, lRef, pr, cr, rRef);
return(w);
}
@ -312,6 +310,7 @@ derivatives
(
const scalar time,
const scalarField& c,
const label li,
scalarField& dcdt
) const
{
@ -320,7 +319,7 @@ derivatives
dcdt = 0.0;
dcdt = omega(c, T, p);
dcdt = omega(p, T, c, li);
// Total mass concentration
scalar cTot = 0.0;
@ -354,6 +353,7 @@ jacobian
(
const scalar t,
const scalarField& c,
const label li,
scalarField& dcdt,
scalarSquareMatrix& dfdc
) const
@ -377,13 +377,13 @@ jacobian
}
// length of the first argument must be nSolids
dcdt = omega(c2, T, p);
dcdt = omega(p, T, c2, li);
for (label ri=0; ri<this->reactions_.size(); ri++)
{
const Reaction<SolidThermo>& R = this->reactions_[ri];
scalar kf0 = R.kf(p, T, c2);
scalar kf0 = R.kf(p, T, c2, li);
forAll(R.lhs(), j)
{
@ -434,14 +434,13 @@ jacobian
// calculate the dcdT elements numerically
scalar delta = 1.0e-8;
scalarField dcdT0 = omega(c2, T - delta, p);
scalarField dcdT1 = omega(c2, T + delta, p);
scalarField dcdT0 = omega(p , T - delta, c2, li);
scalarField dcdT1 = omega(p, T + delta, c2, li);
for (label i=0; i<nEqns(); i++)
{
dfdc[i][nSpecie_] = 0.5*(dcdT1[i] - dcdT0[i])/delta;
}
}
@ -489,8 +488,6 @@ calculate()
forAll(rho, celli)
{
cellCounter_ = celli;
const scalar delta = this->mesh().V()[celli];
if (this->reactingCells_[celli])
@ -505,7 +502,7 @@ calculate()
c[i] = rhoi*this->Ys_[i][celli]*delta;
}
const scalarField dcdt = omega(c, Ti, pi, true);
const scalarField dcdt = omega(pi, Ti, c, celli, true);
forAll(this->RRs_, i)
{
@ -570,8 +567,6 @@ Foam::pyrolysisChemistryModel<CompType, SolidThermo, GasThermo>::solve
{
if (this->reactingCells_[celli])
{
cellCounter_ = celli;
scalar rhoi = rho[celli];
scalar pi = p[celli];
scalar Ti = T[celli];
@ -590,7 +585,7 @@ Foam::pyrolysisChemistryModel<CompType, SolidThermo, GasThermo>::solve
while (timeLeft > small)
{
scalar dt = timeLeft;
this->solve(c, Ti, pi, dt, this->deltaTChem_[celli]);
this->solve(pi, Ti, c, celli, dt, this->deltaTChem_[celli]);
timeLeft -= dt;
}
@ -608,7 +603,7 @@ Foam::pyrolysisChemistryModel<CompType, SolidThermo, GasThermo>::solve
}
// Update Ys0_
dc = omega(c0, Ti, pi, true);
dc = omega(pi, Ti, c0, celli, true);
}
}
@ -654,9 +649,10 @@ Foam::pyrolysisChemistryModel<CompType, SolidThermo, GasThermo>::gasHs
template<class CompType, class SolidThermo, class GasThermo>
void Foam::pyrolysisChemistryModel<CompType, SolidThermo, GasThermo>::solve
(
scalarField &c,
scalar& T,
scalar& p,
scalar& T,
scalarField& c,
const label li,
scalar& deltaT,
scalar& subDeltaT
) const

25
src/thermophysicalModels/solidChemistryModel/pyrolysisChemistryModel/pyrolysisChemistryModel.H
View File

@ -87,9 +87,6 @@ private:
//- List of accumulative solid concentrations
mutable PtrList<volScalarField> Ys0_;
//- Cell counter
label cellCounter_;
public:
@ -125,9 +122,10 @@ public:
//- dc/dt = omega, rate of change in concentration, for each species
virtual scalarField omega
(
const scalarField& c,
const scalar T,
const scalar p,
const scalar T,
const scalarField& c,
const label li,
const bool updateC0 = false
) const;
@ -137,9 +135,10 @@ public:
virtual scalar omega
(
const Reaction<SolidThermo>& r,
const scalarField& c,
const scalar T,
const scalar p,
const scalar T,
const scalarField& c,
const label li,
scalar& pf,
scalar& cf,
label& lRef,
@ -155,9 +154,10 @@ public:
virtual scalar omegaI
(
label iReaction,
const scalarField& c,
const scalar T,
const scalar p,
const scalar T,
const scalarField& c,
const label li,
scalar& pf,
scalar& cf,
label& lRef,
@ -204,6 +204,7 @@ public:
(
const scalar t,
const scalarField& c,
const label li,
scalarField& dcdt
) const;
@ -211,15 +212,17 @@ public:
(
const scalar t,
const scalarField& c,
const label li,
scalarField& dcdt,
scalarSquareMatrix& dfdc
) const;
virtual void solve
(
scalarField &c,
scalar& T,
scalar& p,
scalar& T,
scalarField& c,
const label li,
scalar& deltaT,
scalar& subDeltaT
) const;

22
src/thermophysicalModels/solidChemistryModel/solidChemistryModel/solidChemistryModel.H
View File

@ -126,9 +126,10 @@ public:
//- dc/dt = omega, rate of change in concentration, for each species
virtual scalarField omega
(
const scalarField& c,
const scalar T,
const scalar p,
const scalar T,
const scalarField& c,
const label li,
const bool updateC0 = false
) const = 0;
@ -137,9 +138,10 @@ public:
virtual scalar omega
(
const Reaction<SolidThermo>& r,
const scalarField& c,
const scalar T,
const scalar p,
const scalar T,
const scalarField& c,
const label li,
scalar& pf,
scalar& cf,
label& lRef,
@ -154,9 +156,10 @@ public:
virtual scalar omegaI
(
label iReaction,
const scalarField& c,
const scalar T,
const scalar p,
const scalar T,
const scalarField& c,
const label li,
scalar& pf,
scalar& cf,
label& lRef,
@ -204,6 +207,7 @@ public:
(
const scalar t,
const scalarField& c,
const label li,
scalarField& dcdt
) const = 0;
@ -211,15 +215,17 @@ public:
(
const scalar t,
const scalarField& c,
const label li,
scalarField& dcdt,
scalarSquareMatrix& dfdc
) const = 0;
virtual void solve
(
scalarField &c,
scalar& T,
scalar& p,
scalar& T,
scalarField& c,
const label li,
scalar& deltaT,
scalar& subDeltaT
) const = 0;

10
src/thermophysicalModels/solidSpecie/reaction/reactionRate/solidArrheniusReactionRate/solidArrheniusReactionRate.H
View File

@ -101,14 +101,16 @@ public:
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const;
inline scalar ddT
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const;
//- Third-body efficiencies (beta = 1-alpha)
@ -123,6 +125,7 @@ public:
const scalar p,
const scalar T,
const scalarField& c,
const label li,
scalarField& dcidc
) const;
@ -132,7 +135,8 @@ public:
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const;

10
src/thermophysicalModels/solidSpecie/reaction/reactionRate/solidArrheniusReactionRate/solidArrheniusReactionRateI.H
View File

@ -57,7 +57,8 @@ inline Foam::scalar Foam::solidArrheniusReactionRate::operator()
(
const scalar,
const scalar T,
const scalarField&
const scalarField&,
const label li
) const
{
if (T < Tcrit_)
@ -75,7 +76,8 @@ inline Foam::scalar Foam::solidArrheniusReactionRate::ddT
(
const scalar p,
const scalar T,
const scalarField&
const scalarField&,
const label li
) const
{
if (T < Tcrit_)
@ -101,6 +103,7 @@ inline void Foam::solidArrheniusReactionRate::dcidc
const scalar p,
const scalar T,
const scalarField& c,
const label li,
scalarField& dcidc
) const
{}
@ -110,7 +113,8 @@ inline Foam::scalar Foam::solidArrheniusReactionRate::dcidT
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const
{
return 0;

27
src/thermophysicalModels/specie/reaction/Reactions/IrreversibleReaction/IrreversibleReaction.C
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2011-2018 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2011-2019 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -99,10 +99,11 @@ Foam::scalar Foam::IrreversibleReaction
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const
{
return k_(p, T, c);
return k_(p, T, c, li);
}
@ -122,7 +123,8 @@ Foam::scalar Foam::IrreversibleReaction
const scalar kfwd,
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const
{
return 0;
@ -144,7 +146,8 @@ Foam::scalar Foam::IrreversibleReaction
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const
{
return 0;
@ -166,10 +169,11 @@ Foam::scalar Foam::IrreversibleReaction
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const
{
return k_.ddT(p, T, c);
return k_.ddT(p, T, c, li);
}
@ -189,6 +193,7 @@ Foam::scalar Foam::IrreversibleReaction
const scalar p,
const scalar T,
const scalarField& c,
const label li,
const scalar dkfdT,
const scalar kr
) const
@ -231,10 +236,11 @@ void Foam::IrreversibleReaction
const scalar p,
const scalar T,
const scalarField& c,
const label li,
scalarField& dcidc
) const
{
k_.dcidc(p, T, c, dcidc);
k_.dcidc(p, T, c, li, dcidc);
}
@ -253,10 +259,11 @@ Foam::scalar Foam::IrreversibleReaction
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const
{
return k_.dcidT(p, T, c);
return k_.dcidT(p, T, c, li);
}

17
src/thermophysicalModels/specie/reaction/Reactions/IrreversibleReaction/IrreversibleReaction.H
View File

@ -146,7 +146,8 @@ public:
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const;
//- Reverse rate constant from the given forward rate constant
@ -156,7 +157,8 @@ public:
const scalar kfwd,
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const;
//- Reverse rate constant
@ -165,7 +167,8 @@ public:
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const;
@ -176,7 +179,8 @@ public:
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const;
//- Temperature derivative of reverse rate
@ -186,6 +190,7 @@ public:
const scalar p,
const scalar T,
const scalarField& c,
const label li,
const scalar dkfdT,
const scalar kr
) const;
@ -202,6 +207,7 @@ public:
const scalar p,
const scalar T,
const scalarField& c,
const label li,
scalarField& dcidc
) const;
@ -211,7 +217,8 @@ public:
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const;

33
src/thermophysicalModels/specie/reaction/Reactions/NonEquilibriumReversibleReaction/NonEquilibriumReversibleReaction.C
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2011-2018 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2011-2019 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -124,10 +124,11 @@ Foam::NonEquilibriumReversibleReaction
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const
{
return fk_(p, T, c);
return fk_(p, T, c, li);
}
@ -148,10 +149,11 @@ Foam::NonEquilibriumReversibleReaction
const scalar,
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const
{
return rk_(p, T, c);
return rk_(p, T, c, li);
}
@ -171,10 +173,11 @@ Foam::NonEquilibriumReversibleReaction
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const
{
return rk_(p, T, c);
return rk_(p, T, c, li);
}
@ -194,10 +197,11 @@ Foam::NonEquilibriumReversibleReaction
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const
{
return fk_.ddT(p, T, c);
return fk_.ddT(p, T, c, li);
}
@ -218,11 +222,12 @@ Foam::NonEquilibriumReversibleReaction
const scalar p,
const scalar T,
const scalarField& c,
const label li,
const scalar dkfdT,
const scalar kr
) const
{
return rk_.ddT(p, T, c);
return rk_.ddT(p, T, c, li);
}
@ -260,10 +265,11 @@ void Foam::NonEquilibriumReversibleReaction
const scalar p,
const scalar T,
const scalarField& c,
const label li,
scalarField& dcidc
) const
{
fk_.dcidc(p, T, c, dcidc);
fk_.dcidc(p, T, c, li, dcidc);
}
@ -282,10 +288,11 @@ Foam::scalar Foam::NonEquilibriumReversibleReaction
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const
{
return fk_.dcidT(p, T, c);
return fk_.dcidT(p, T, c, li);
}

17
src/thermophysicalModels/specie/reaction/Reactions/NonEquilibriumReversibleReaction/NonEquilibriumReversibleReaction.H
View File

@ -134,7 +134,8 @@ public:
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const;
//- Reverse rate constant from the given formard rate constant
@ -143,7 +144,8 @@ public:
const scalar kfwd,
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const;
//- Reverse rate constant.
@ -153,7 +155,8 @@ public:
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const;
@ -164,7 +167,8 @@ public:
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const;
//- Temperature derivative of backward rate
@ -173,6 +177,7 @@ public:
const scalar p,
const scalar T,
const scalarField& c,
const label li,
const scalar dkfdT,
const scalar kr
) const;
@ -189,6 +194,7 @@ public:
const scalar p,
const scalar T,
const scalarField& c,
const label li,
scalarField& dcidc
) const;
@ -198,7 +204,8 @@ public:
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const;

26
src/thermophysicalModels/specie/reaction/Reactions/Reaction/Reaction.C
View File

@ -205,6 +205,7 @@ void Foam::Reaction<ReactionThermo>::ddot
const scalar p,
const scalar T,
const scalarField& c,
const label li,
scalarField& d
) const
{
@ -217,6 +218,7 @@ void Foam::Reaction<ReactionThermo>::fdot
const scalar p,
const scalar T,
const scalarField& c,
const label li,
scalarField& f
) const
{
@ -229,6 +231,7 @@ void Foam::Reaction<ReactionThermo>::omega
const scalar p,
const scalar T,
const scalarField& c,
const label li,
scalarField& dcdt
) const
{
@ -237,7 +240,7 @@ void Foam::Reaction<ReactionThermo>::omega
scalar omegaI = omega
(
p, T, c, pf, cf, lRef, pr, cr, rRef
p, T, c, li, pf, cf, lRef, pr, cr, rRef
);
forAll(lhs_, i)
@ -261,6 +264,7 @@ Foam::scalar Foam::Reaction<ReactionThermo>::omega
const scalar p,
const scalar T,
const scalarField& c,
const label li,
scalar& pf,
scalar& cf,
label& lRef,
@ -272,8 +276,8 @@ Foam::scalar Foam::Reaction<ReactionThermo>::omega
scalar clippedT = min(max(T, this->Tlow()), this->Thigh());
const scalar kf = this->kf(p, clippedT, c);
const scalar kr = this->kr(kf, p, clippedT, c);
const scalar kf = this->kf(p, clippedT, c, li);
const scalar kr = this->kr(kf, p, clippedT, c, li);
pf = 1;
pr = 1;
@ -375,6 +379,7 @@ void Foam::Reaction<ReactionThermo>::dwdc
const scalar p,
const scalar T,
const scalarField& c,
const label li,
scalarSquareMatrix& J,
scalarField& dcdt,
scalar& omegaI,
@ -387,7 +392,7 @@ void Foam::Reaction<ReactionThermo>::dwdc
scalar pf, cf, pr, cr;
label lRef, rRef;
omegaI = omega(p, T, c, pf, cf, lRef, pr, cr, rRef);
omegaI = omega(p, T, c, li, pf, cf, lRef, pr, cr, rRef);
forAll(lhs_, i)
{
@ -402,8 +407,8 @@ void Foam::Reaction<ReactionThermo>::dwdc
dcdt[si] += sr*omegaI;
}
kfwd = this->kf(p, T, c);
kbwd = this->kr(kfwd, p, T, c);
kfwd = this->kf(p, T, c, li);
kbwd = this->kr(kfwd, p, T, c, li);
forAll(lhs_, j)
{
@ -504,7 +509,7 @@ void Foam::Reaction<ReactionThermo>::dwdc
{
// This temporary array needs to be cached for efficiency
scalarField dcidc(beta.size());
this->dcidc(p, T, c, dcidc);
this->dcidc(p, T, c, li, dcidc);
forAll(beta, j)
{
@ -538,6 +543,7 @@ void Foam::Reaction<ReactionThermo>::dwdT
const scalar p,
const scalar T,
const scalarField& c,
const label li,
const scalar omegaI,
const scalar kfwd,
const scalar kbwd,
@ -550,8 +556,8 @@ void Foam::Reaction<ReactionThermo>::dwdT
scalar kf = kfwd;
scalar kr = kbwd;
scalar dkfdT = this->dkfdT(p, T, c);
scalar dkrdT = this->dkrdT(p, T, c, dkfdT, kr);
scalar dkfdT = this->dkfdT(p, T, c, li);
scalar dkrdT = this->dkrdT(p, T, c, li, dkfdT, kr);
scalar sumExp = 0.0;
forAll(lhs_, i)
@ -582,7 +588,7 @@ void Foam::Reaction<ReactionThermo>::dwdT
// For reactions including third-body efficiencies or pressure dependent
// reaction, an additional term is needed
scalar dcidT = this->dcidT(p, T, c);
scalar dcidT = this->dcidT(p, T, c, li);
dcidT *= omegaI;
// J(i, indexT) = sum_reactions nu_i dqdT

23
src/thermophysicalModels/specie/reaction/Reactions/Reaction/Reaction.H
View File

@ -210,6 +210,7 @@ public:
const scalar p,
const scalar T,
const scalarField& c,
const label li,
scalarField& d
) const;
@ -219,6 +220,7 @@ public:
const scalar p,
const scalar T,
const scalarField& c,
const label li,
scalarField& f
) const;
@ -228,6 +230,7 @@ public:
const scalar p,
const scalar T,
const scalarField& c,
const label li,
scalarField& dcdt
) const;
@ -237,6 +240,7 @@ public:
const scalar p,
const scalar T,
const scalarField& c,
const label li,
scalar& pf,
scalar& cf,
label& lRef,
@ -252,7 +256,8 @@ public:
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const = 0;
//- Reverse rate constant from the given forward rate constant
@ -261,7 +266,8 @@ public:
const scalar kfwd,
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const = 0;
//- Reverse rate constant
@ -269,7 +275,8 @@ public:
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const = 0;
@ -282,6 +289,7 @@ public:
const scalar p,
const scalar T,
const scalarField& c,
const label li,
scalarSquareMatrix& J,
scalarField& dcdt,
scalar& omegaI,
@ -298,6 +306,7 @@ public:
const scalar p,
const scalar T,
const scalarField& c,
const label li,
const scalar omegaI,
const scalar kfwd,
const scalar kbwd,
@ -312,7 +321,8 @@ public:
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const = 0;
//- Temperature derivative of reverse rate
@ -321,6 +331,7 @@ public:
const scalar p,
const scalar T,
const scalarField& c,
const label li,
const scalar dkfdT,
const scalar kr
) const = 0;
@ -336,6 +347,7 @@ public:
const scalar p,
const scalar T,
const scalarField& c,
const label li,
scalarField& dcidc
) const = 0;
@ -344,7 +356,8 @@ public:
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const = 0;

17
src/thermophysicalModels/specie/reaction/Reactions/ReactionProxy/ReactionProxy.C
View File

@ -106,7 +106,8 @@ Foam::scalar Foam::ReactionProxy<ReactionThermo>::kf
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const
{
NotImplemented;
@ -120,7 +121,8 @@ Foam::scalar Foam::ReactionProxy<ReactionThermo>::kr
const scalar kfwd,
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const
{
NotImplemented;
@ -133,7 +135,8 @@ Foam::scalar Foam::ReactionProxy<ReactionThermo>::kr
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const
{
NotImplemented;
@ -146,7 +149,8 @@ Foam::scalar Foam::ReactionProxy<ReactionThermo>::dkfdT
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const
{
NotImplemented;
@ -160,6 +164,7 @@ Foam::scalar Foam::ReactionProxy<ReactionThermo>::dkrdT
const scalar p,
const scalar T,
const scalarField& c,
const label li,
const scalar dkfdT,
const scalar kr
) const
@ -184,6 +189,7 @@ void Foam::ReactionProxy<ReactionThermo>::dcidc
const scalar p,
const scalar T,
const scalarField& c,
const label li,
scalarField& dcidc
) const
{
@ -196,7 +202,8 @@ Foam::scalar Foam::ReactionProxy<ReactionThermo>::dcidT
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const
{
NotImplemented;

17
src/thermophysicalModels/specie/reaction/Reactions/ReactionProxy/ReactionProxy.H
View File

@ -107,7 +107,8 @@ public:
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const;
//- Reverse rate constant from the given forward rate constant
@ -116,7 +117,8 @@ public:
const scalar kfwd,
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const;
//- Reverse rate constant
@ -124,7 +126,8 @@ public:
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const;
@ -135,7 +138,8 @@ public:
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const;
//- Temperature derivative of reverse rate
@ -144,6 +148,7 @@ public:
const scalar p,
const scalar T,
const scalarField& c,
const label li,
const scalar dkfdT,
const scalar kr
) const;
@ -159,6 +164,7 @@ public:
const scalar p,
const scalar T,
const scalarField& c,
const label li,
scalarField& dcidc
) const;
@ -167,7 +173,8 @@ public:
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const;
};

29
src/thermophysicalModels/specie/reaction/Reactions/ReversibleReaction/ReversibleReaction.C
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2011-2018 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2011-2019 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -99,10 +99,11 @@ Foam::scalar Foam::ReversibleReaction
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const
{
return k_(p, T, c);
return k_(p, T, c, li);
}
@ -122,7 +123,8 @@ Foam::scalar Foam::ReversibleReaction
const scalar kfwd,
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const
{
return kfwd/max(this->Kc(p, T), rootSmall);
@ -144,10 +146,11 @@ Foam::scalar Foam::ReversibleReaction
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const
{
return kr(kf(p, T, c), p, T, c);
return kr(kf(p, T, c, li), p, T, c, li);
}
@ -166,10 +169,11 @@ Foam::scalar Foam::ReversibleReaction
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const
{
return k_.ddT(p, T, c);
return k_.ddT(p, T, c, li);
}
@ -189,6 +193,7 @@ Foam::scalar Foam::ReversibleReaction
const scalar p,
const scalar T,
const scalarField& c,
const label li,
const scalar dkfdT,
const scalar kr
) const
@ -233,10 +238,11 @@ void Foam::ReversibleReaction
const scalar p,
const scalar T,
const scalarField& c,
const label li,
scalarField& dcidc
) const
{
k_.dcidc(p, T, c, dcidc);
k_.dcidc(p, T, c, li, dcidc);
}
@ -255,10 +261,11 @@ Foam::scalar Foam::ReversibleReaction
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const
{
return k_.dcidT(p, T, c);
return k_.dcidT(p, T, c, li);
}

17
src/thermophysicalModels/specie/reaction/Reactions/ReversibleReaction/ReversibleReaction.H
View File

@ -143,7 +143,8 @@ public:
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const;
//- Reverse rate constant from the given formard rate constant
@ -152,7 +153,8 @@ public:
const scalar kfwd,
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const;
//- Reverse rate constant.
@ -162,7 +164,8 @@ public:
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const;
@ -173,7 +176,8 @@ public:
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const;
//- Temperature derivative of backward rate
@ -182,6 +186,7 @@ public:
const scalar p,
const scalar T,
const scalarField& c,
const label li,
const scalar dkfdT,
const scalar kr
) const;
@ -198,6 +203,7 @@ public:
const scalar p,
const scalar T,
const scalarField& c,
const label li,
scalarField& dcidc
) const;
@ -207,7 +213,8 @@ public:
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const;

10
src/thermophysicalModels/specie/reaction/reactionRate/ArrheniusReactionRate/ArrheniusReactionRate.H
View File

@ -97,14 +97,16 @@ public:
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const;
inline scalar ddT
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const;
//- Third-body efficiencies (beta = 1-alpha)
@ -119,6 +121,7 @@ public:
const scalar p,
const scalar T,
const scalarField& c,
const label li,
scalarField& dcidc
) const;
@ -128,7 +131,8 @@ public:
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const;
//- Write to stream

10
src/thermophysicalModels/specie/reaction/reactionRate/ArrheniusReactionRate/ArrheniusReactionRateI.H
View File

@ -56,7 +56,8 @@ inline Foam::scalar Foam::ArrheniusReactionRate::operator()
(
const scalar p,
const scalar T,
const scalarField&
const scalarField&,
const label
) const
{
scalar ak = A_;
@ -79,7 +80,8 @@ inline Foam::scalar Foam::ArrheniusReactionRate::ddT
(
const scalar p,
const scalar T,
const scalarField&
const scalarField&,
const label
) const
{
scalar ak = A_;
@ -110,6 +112,7 @@ inline void Foam::ArrheniusReactionRate::dcidc
const scalar p,
const scalar T,
const scalarField& c,
const label li,
scalarField& dcidc
) const
{}
@ -119,7 +122,8 @@ inline Foam::scalar Foam::ArrheniusReactionRate::dcidT
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const
{
return 0;

10
src/thermophysicalModels/specie/reaction/reactionRate/ChemicallyActivatedReactionRate/ChemicallyActivatedReactionRate.H
View File

@ -107,14 +107,16 @@ public:
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const;
inline scalar ddT
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const;
//- Third-body efficiencies (beta = 1-alpha)
@ -132,6 +134,7 @@ public:
const scalar p,
const scalar T,
const scalarField& c,
const label li,
scalarField& dcidc
) const;
@ -141,7 +144,8 @@ public:
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const;
//- Write to stream

32
src/thermophysicalModels/specie/reaction/reactionRate/ChemicallyActivatedReactionRate/ChemicallyActivatedReactionRateI.H
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2011-2018 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2011-2019 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -91,11 +91,12 @@ inline Foam::scalar Foam::ChemicallyActivatedReactionRate
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const
{
const scalar k0 = k0_(p, T, c);
const scalar kInf = kInf_(p, T, c);
const scalar k0 = k0_(p, T, c, li);
const scalar kInf = kInf_(p, T, c, li);
const scalar Pr = k0*thirdBodyEfficiencies_.M(c)/kInf;
return k0*(1/(1 + Pr))*F_(T, Pr);
@ -111,14 +112,15 @@ inline Foam::scalar Foam::ChemicallyActivatedReactionRate
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const
{
const scalar k0 = k0_(p, T, c);
const scalar kInf = kInf_(p, T, c);
const scalar k0 = k0_(p, T, c, li);
const scalar kInf = kInf_(p, T, c, li);
const scalar Pr = k0*thirdBodyEfficiencies_.M(c)/kInf;
return (1/(1 + Pr))*F_(T, Pr)*k0_.ddT(p, T, c);
return (1/(1 + Pr))*F_(T, Pr)*k0_.ddT(p, T, c, li);
}
@ -132,6 +134,7 @@ inline void Foam::ChemicallyActivatedReactionRate
const scalar p,
const scalar T,
const scalarField& c,
const label li,
scalarField& dcidc
) const
{
@ -139,8 +142,8 @@ inline void Foam::ChemicallyActivatedReactionRate
if (M > small)
{
const scalar k0 = k0_(p, T, c);
const scalar kInf = kInf_(p, T, c);
const scalar k0 = k0_(p, T, c, li);
const scalar kInf = kInf_(p, T, c, li);
const scalar Pr = k0*M/kInf;
const scalar F = F_(T, Pr);
@ -171,20 +174,21 @@ inline Foam::scalar Foam::ChemicallyActivatedReactionRate
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const
{
const scalar M = thirdBodyEfficiencies_.M(c);
if (M > small)
{
const scalar k0 = k0_(p, T, c);
const scalar kInf = kInf_(p, T, c);
const scalar k0 = k0_(p, T, c, li);
const scalar kInf = kInf_(p, T, c, li);
const scalar Pr = k0*thirdBodyEfficiencies_.M(c)/kInf;
const scalar F = F_(T, Pr);
const scalar dPrdT =
Pr*(k0_.ddT(p, T, c)/k0 - kInf_.ddT(p, T, c)/kInf - 1/T);
Pr*(k0_.ddT(p, T, c, li)/k0 - kInf_.ddT(p, T, c, li)/kInf - 1/T);
const scalar dFdT = F_.ddT(Pr, F, dPrdT, T);
return (-dPrdT/(1 + Pr) + dFdT/F);

10
src/thermophysicalModels/specie/reaction/reactionRate/FallOffReactionRate/FallOffReactionRate.H
View File

@ -104,14 +104,16 @@ public:
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const;
inline scalar ddT
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const;
//- Third-body efficiencies (beta = 1-alpha)
@ -128,6 +130,7 @@ public:
const scalar p,
const scalar T,
const scalarField& c,
const label li,
scalarField& dcidc
) const;
@ -136,7 +139,8 @@ public:
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const;
//- Write to stream

32
src/thermophysicalModels/specie/reaction/reactionRate/FallOffReactionRate/FallOffReactionRateI.H
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2011-2018 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2011-2019 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -82,11 +82,12 @@ Foam::FallOffReactionRate<ReactionRate, FallOffFunction>::operator()
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const
{
const scalar k0 = k0_(p, T, c);
const scalar kInf = kInf_(p, T, c);
const scalar k0 = k0_(p, T, c, li);
const scalar kInf = kInf_(p, T, c, li);
const scalar Pr = k0*thirdBodyEfficiencies_.M(c)/kInf;
return kInf*(Pr/(1 + Pr))*F_(T, Pr);
@ -99,14 +100,15 @@ Foam::FallOffReactionRate<ReactionRate, FallOffFunction>::ddT
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const
{
const scalar k0 = k0_(p, T, c);
const scalar kInf = kInf_(p, T, c);
const scalar k0 = k0_(p, T, c, li);
const scalar kInf = kInf_(p, T, c, li);
const scalar Pr = k0*thirdBodyEfficiencies_.M(c)/kInf;
return (Pr/(1 + Pr))*F_(T, Pr)*kInf_.ddT(p, T, c);
return (Pr/(1 + Pr))*F_(T, Pr)*kInf_.ddT(p, T, c, li);
}
@ -116,6 +118,7 @@ inline void Foam::FallOffReactionRate<ReactionRate, FallOffFunction>::dcidc
const scalar p,
const scalar T,
const scalarField& c,
const label li,
scalarField& dcidc
) const
{
@ -123,8 +126,8 @@ inline void Foam::FallOffReactionRate<ReactionRate, FallOffFunction>::dcidc
if (M > small)
{
const scalar k0 = k0_(p, T, c);
const scalar kInf = kInf_(p, T, c);
const scalar k0 = k0_(p, T, c, li);
const scalar kInf = kInf_(p, T, c, li);
const scalar Pr = k0*M/kInf;
const scalar F = F_(T, Pr);
@ -151,20 +154,21 @@ Foam::FallOffReactionRate<ReactionRate, FallOffFunction>::dcidT
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const
{
const scalar M = thirdBodyEfficiencies_.M(c);
if (M > small)
{
const scalar k0 = k0_(p, T, c);
const scalar kInf = kInf_(p, T, c);
const scalar k0 = k0_(p, T, c, li);
const scalar kInf = kInf_(p, T, c, li);
const scalar Pr = k0*thirdBodyEfficiencies_.M(c)/kInf;
const scalar F = F_(T, Pr);
const scalar dPrdT =
Pr*(k0_.ddT(p, T, c)/k0 - kInf_.ddT(p, T, c)/kInf - 1/T);
Pr*(k0_.ddT(p, T, c, li)/k0 - kInf_.ddT(p, T, c, li)/kInf - 1/T);
const scalar dFdT = F_.ddT(Pr, F, dPrdT, T);
return (dPrdT/(Pr*(1 + Pr)) + dFdT/F);

10
src/thermophysicalModels/specie/reaction/reactionRate/JanevReactionRate/JanevReactionRate.H
View File

@ -100,14 +100,16 @@ public:
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const;
inline scalar ddT
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const;
//- Third-body efficiencies (beta = 1-alpha)
@ -121,6 +123,7 @@ public:
const scalar p,
const scalar T,
const scalarField& c,
const label li,
scalarField& dcidc
) const;
@ -129,7 +132,8 @@ public:
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const;
//- Write to stream

12
src/thermophysicalModels/specie/reaction/reactionRate/JanevReactionRate/JanevReactionRateI.H
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2011-2018 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2011-2019 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -59,7 +59,8 @@ inline Foam::scalar Foam::JanevReactionRate::operator()
(
const scalar p,
const scalar T,
const scalarField&
const scalarField&,
const label
) const
{
scalar lta = A_;
@ -93,7 +94,8 @@ inline Foam::scalar Foam::JanevReactionRate::ddT
(
const scalar p,
const scalar T,
const scalarField&
const scalarField&,
const label
) const
{
scalar lta = A_;
@ -142,6 +144,7 @@ inline void Foam::JanevReactionRate::dcidc
const scalar p,
const scalar T,
const scalarField& c,
const label li,
scalarField& dcidc
) const
{}
@ -151,7 +154,8 @@ inline Foam::scalar Foam::JanevReactionRate::dcidT
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const
{
return 0;

10
src/thermophysicalModels/specie/reaction/reactionRate/LandauTellerReactionRate/LandauTellerReactionRate.H
View File

@ -99,14 +99,16 @@ public:
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const;
inline scalar ddT
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const;
//- Third-body efficiencies (beta = 1-alpha)
@ -120,6 +122,7 @@ public:
const scalar p,
const scalar T,
const scalarField& c,
const label li,
scalarField& dcidc
) const;
@ -128,7 +131,8 @@ public:
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const;
//- Write to stream

10
src/thermophysicalModels/specie/reaction/reactionRate/LandauTellerReactionRate/LandauTellerReactionRateI.H
View File

@ -62,7 +62,8 @@ inline Foam::scalar Foam::LandauTellerReactionRate::operator()
(
const scalar p,
const scalar T,
const scalarField&
const scalarField&,
const label
) const
{
scalar lta = A_;
@ -102,7 +103,8 @@ inline Foam::scalar Foam::LandauTellerReactionRate::ddT
(
const scalar p,
const scalar T,
const scalarField&
const scalarField&,
const label
) const
{
scalar lta = A_;
@ -157,6 +159,7 @@ inline void Foam::LandauTellerReactionRate::dcidc
const scalar p,
const scalar T,
const scalarField& c,
const label li,
scalarField& dcidc
) const
{}
@ -166,7 +169,8 @@ inline Foam::scalar Foam::LandauTellerReactionRate::dcidT
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const
{
return 0;

10
src/thermophysicalModels/specie/reaction/reactionRate/LangmuirHinshelwood/LangmuirHinshelwoodReactionRate.H
View File

@ -102,14 +102,16 @@ public:
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const;
inline scalar ddT
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const;
//- Third-body efficiencies (beta = 1-alpha)
@ -123,6 +125,7 @@ public:
const scalar p,
const scalar T,
const scalarField& c,
const label li,
scalarField& dcidc
) const;
@ -131,7 +134,8 @@ public:
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const;
//- Write to stream

10
src/thermophysicalModels/specie/reaction/reactionRate/LangmuirHinshelwood/LangmuirHinshelwoodReactionRateI.H
View File

@ -68,7 +68,8 @@ inline Foam::scalar Foam::LangmuirHinshelwoodReactionRate::operator()
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const
{
const scalar c0m = pow(c[r_[0]], m_[0]);
@ -90,7 +91,8 @@ inline Foam::scalar Foam::LangmuirHinshelwoodReactionRate::ddT
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const
{
const scalar c0m = pow(c[r_[0]], m_[0]);
@ -125,6 +127,7 @@ inline void Foam::LangmuirHinshelwoodReactionRate::dcidc
const scalar p,
const scalar T,
const scalarField& c,
const label li,
scalarField& dcidc
) const
{}
@ -134,7 +137,8 @@ inline Foam::scalar Foam::LangmuirHinshelwoodReactionRate::dcidT
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const
{
return 0;

10
src/thermophysicalModels/specie/reaction/reactionRate/MichaelisMenten/MichaelisMentenReactionRate.H
View File

@ -104,14 +104,16 @@ public:
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const;
inline scalar ddT
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const;
//- Third-body efficiencies (beta = 1-alpha)
@ -125,6 +127,7 @@ public:
const scalar p,
const scalar T,
const scalarField& c,
const label li,
scalarField& dcidc
) const;
@ -133,7 +136,8 @@ public:
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const;
//- Write to stream

10
src/thermophysicalModels/specie/reaction/reactionRate/MichaelisMenten/MichaelisMentenReactionRateI.H
View File

@ -46,7 +46,8 @@ inline Foam::scalar Foam::MichaelisMentenReactionRate::operator()
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const
{
return Vmax_/(Km_ + c[s_]);
@ -57,7 +58,8 @@ inline Foam::scalar Foam::MichaelisMentenReactionRate::ddT
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const
{
return 0;
@ -76,6 +78,7 @@ inline void Foam::MichaelisMentenReactionRate::dcidc
const scalar p,
const scalar T,
const scalarField& c,
const label li,
scalarField& dcidc
) const
{
@ -87,7 +90,8 @@ inline Foam::scalar Foam::MichaelisMentenReactionRate::dcidT
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const
{
return 0;

12
src/thermophysicalModels/specie/reaction/reactionRate/infiniteReactionRate/infiniteReactionRate.H
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2011-2018 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2011-2019 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -84,14 +84,16 @@ public:
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const;
inline scalar ddT
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const;
//- Third-body efficiencies (beta = 1-alpha)
@ -105,6 +107,7 @@ public:
const scalar p,
const scalar T,
const scalarField& c,
const label li,
scalarField& dcidc
) const;
@ -113,7 +116,8 @@ public:
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const;
//- Write to stream

12
src/thermophysicalModels/specie/reaction/reactionRate/infiniteReactionRate/infiniteReactionRateI.H
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2011-2018 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2011-2019 OpenFOAM Foundation
\\/ M anipulation |
-------------------------------------------------------------------------------
License
@ -47,7 +47,8 @@ inline Foam::scalar Foam::infiniteReactionRate::operator()
(
const scalar p,
const scalar,
const scalarField&
const scalarField&,
const label
) const
{
return (1);
@ -57,7 +58,8 @@ inline Foam::scalar Foam::infiniteReactionRate::ddT
(
const scalar p,
const scalar,
const scalarField&
const scalarField&,
const label
) const
{
return (0);
@ -76,6 +78,7 @@ inline void Foam::infiniteReactionRate::dcidc
const scalar p,
const scalar T,
const scalarField& c,
const label li,
scalarField& dcidc
) const
{}
@ -85,7 +88,8 @@ inline Foam::scalar Foam::infiniteReactionRate::dcidT
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const
{
return 0;

10
src/thermophysicalModels/specie/reaction/reactionRate/powerSeries/powerSeriesReactionRate.H
View File

@ -100,14 +100,16 @@ public:
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const;
inline scalar ddT
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const;
//- Third-body efficiencies (beta = 1-alpha)
@ -121,6 +123,7 @@ public:
const scalar p,
const scalar T,
const scalarField& c,
const label li,
scalarField& dcidc
) const;
@ -129,7 +132,8 @@ public:
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const;
//- Write to stream

10
src/thermophysicalModels/specie/reaction/reactionRate/powerSeries/powerSeriesReactionRateI.H
View File

@ -59,7 +59,8 @@ inline Foam::scalar Foam::powerSeriesReactionRate::operator()
(
const scalar p,
const scalar T,
const scalarField&
const scalarField&,
const label
) const
{
scalar lta = A_;
@ -86,7 +87,8 @@ inline Foam::scalar Foam::powerSeriesReactionRate::ddT
(
const scalar p,
const scalar T,
const scalarField&
const scalarField&,
const label
) const
{
scalar lta = A_;
@ -124,6 +126,7 @@ inline void Foam::powerSeriesReactionRate::dcidc
const scalar p,
const scalar T,
const scalarField& c,
const label li,
scalarField& dcidc
) const
{}
@ -133,7 +136,8 @@ inline Foam::scalar Foam::powerSeriesReactionRate::dcidT
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const
{
return 0;

10
src/thermophysicalModels/specie/reaction/reactionRate/thirdBodyArrheniusReactionRate/thirdBodyArrheniusReactionRate.H
View File

@ -97,14 +97,16 @@ public:
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const;
inline scalar ddT
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const;
//- Third-body efficiencies (beta = 1-alpha)
@ -121,6 +123,7 @@ public:
const scalar p,
const scalar T,
const scalarField& c,
const label li,
scalarField& dcidc
) const;
@ -129,7 +132,8 @@ public:
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const;
//- Write to stream

16
src/thermophysicalModels/specie/reaction/reactionRate/thirdBodyArrheniusReactionRate/thirdBodyArrheniusReactionRateI.H
View File

@ -2,7 +2,7 @@
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration | Website: https://openfoam.org
\\ / A nd | Copyright (C) 2011-2018 OpenFOAM Foundation
\\ / A nd | Copyright (C) 2011-2019 OpenFOAM Foundation
\\/ M anipulation |
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License
@ -76,12 +76,13 @@ inline Foam::scalar Foam::thirdBodyArrheniusReactionRate::operator()
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const
{
return
thirdBodyEfficiencies_.M(c)
*ArrheniusReactionRate::operator()(p, T, c);
*ArrheniusReactionRate::operator()(p, T, c, li);
}
@ -89,12 +90,13 @@ inline Foam::scalar Foam::thirdBodyArrheniusReactionRate::ddT
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const
{
return
thirdBodyEfficiencies_.M(c)
*ArrheniusReactionRate::ddT(p, T, c);
*ArrheniusReactionRate::ddT(p, T, c, li);
}
@ -103,6 +105,7 @@ inline void Foam::thirdBodyArrheniusReactionRate::dcidc
const scalar p,
const scalar T,
const scalarField& c,
const label li,
scalarField& dcidc
) const
{
@ -118,7 +121,8 @@ inline Foam::scalar Foam::thirdBodyArrheniusReactionRate::dcidT
(
const scalar p,
const scalar T,
const scalarField& c
const scalarField& c,
const label li
) const
{
return -1.0/T;