chemistryModel: Remove support for the sequential solver and rationalise EulerImplicit

src/thermophysicalModels/chemistryModel/chemistryModel/chemistryModel/chemistryModel.C

@@ -154,70 +154,6 @@ Foam::scalar Foam::chemistryModel<CompType, ThermoType>::omegaI
 }
 
 
-template<class CompType, class ThermoType>
-void Foam::chemistryModel<CompType, ThermoType>::updateConcsInReactionI
-(
-    const label index,
-    const scalar dt,
-    const scalar omeg,
-    const scalar p,
-    const scalar T,
-    scalarField& c
-) const
-{
-     // update species
-    const Reaction<ThermoType>& R = reactions_[index];
-    forAll(R.lhs(), s)
-    {
-        label si = R.lhs()[s].index;
-        scalar sl = R.lhs()[s].stoichCoeff;
-        c[si] -= dt*sl*omeg;
-        c[si] = max(0.0, c[si]);
-    }
-
-    forAll(R.rhs(), s)
-    {
-        label si = R.rhs()[s].index;
-        scalar sr = R.rhs()[s].stoichCoeff;
-        c[si] += dt*sr*omeg;
-        c[si] = max(0.0, c[si]);
-    }
-}
-
-
-template<class CompType, class ThermoType>
-void Foam::chemistryModel<CompType, ThermoType>::updateRRInReactionI
-(
-    const label index,
-    const scalar pr,
-    const scalar pf,
-    const scalar corr,
-    const label lRef,
-    const label rRef,
-    const scalar p,
-    const scalar T,
-    simpleMatrix<scalar>& RR
-) const
-{
-    const Reaction<ThermoType>& R = reactions_[index];
-    forAll(R.lhs(), s)
-    {
-        label si = R.lhs()[s].index;
-        scalar sl = R.lhs()[s].stoichCoeff;
-        RR[si][rRef] -= sl*pr*corr;
-        RR[si][lRef] += sl*pf*corr;
-    }
-
-    forAll(R.rhs(), s)
-    {
-        label si = R.rhs()[s].index;
-        scalar sr = R.rhs()[s].stoichCoeff;
-        RR[si][lRef] -= sr*pf*corr;
-        RR[si][rRef] += sr*pr*corr;
-    }
-}
-
-
 template<class CompType, class ThermoType>
 Foam::scalar Foam::chemistryModel<CompType, ThermoType>::omega
 (
@@ -513,7 +449,7 @@ void Foam::chemistryModel<CompType, ThermoType>::jacobian
         }
     }
 
-    // calculate the dcdT elements numerically
+    // Calculate the dcdT elements numerically
     const scalar delta = 1.0e-3;
     const scalarField dcdT0(omega(c2, T - delta, p));
     const scalarField dcdT1(omega(c2, T + delta, p));
@@ -522,7 +458,6 @@ void Foam::chemistryModel<CompType, ThermoType>::jacobian
     {
         dfdc[i][nSpecie()] = 0.5*(dcdT1[i] - dcdT0[i])/delta;
     }
-
 }
 
 

src/thermophysicalModels/chemistryModel/chemistryModel/chemistryModel/chemistryModel.H

@@ -182,32 +182,6 @@ public:
         //- Calculates the reaction rates
         virtual void calculate();
 
-        //- Update concentrations in reaction i given dt and reaction rate omega
-        // used by sequential solver
-        void updateConcsInReactionI
-        (
-            const label i,
-            const scalar dt,
-            const scalar omega,
-            const scalar p,
-            const scalar T,
-            scalarField& c
-        ) const;
-
-        //- Update matrix RR for reaction i. Used by EulerImplicit
-        void updateRRInReactionI
-        (
-            const label i,
-            const scalar pr,
-            const scalar pf,
-            const scalar corr,
-            const label lRef,
-            const label rRef,
-            const scalar p,
-            const scalar T,
-            simpleMatrix<scalar>& RR
-        ) const;
-
 
         // Chemistry model functions (overriding abstract functions in
         // basicChemistryModel.H)

src/thermophysicalModels/chemistryModel/chemistrySolver/EulerImplicit/EulerImplicit.C

@@ -52,6 +52,41 @@ Foam::EulerImplicit<ChemistryModel>::~EulerImplicit()
 
 // * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
 
+template<class ChemistryModel>
+void Foam::EulerImplicit<ChemistryModel>::updateRRInReactionI
+(
+    const label index,
+    const scalar pr,
+    const scalar pf,
+    const scalar corr,
+    const label lRef,
+    const label rRef,
+    const scalar p,
+    const scalar T,
+    simpleMatrix<scalar>& RR
+) const
+{
+    const Reaction<typename ChemistryModel::thermoType>& R =
+        this->reactions_[index];
+
+    forAll(R.lhs(), s)
+    {
+        label si = R.lhs()[s].index;
+        scalar sl = R.lhs()[s].stoichCoeff;
+        RR[si][rRef] -= sl*pr*corr;
+        RR[si][lRef] += sl*pf*corr;
+    }
+
+    forAll(R.rhs(), s)
+    {
+        label si = R.rhs()[s].index;
+        scalar sr = R.rhs()[s].stoichCoeff;
+        RR[si][lRef] -= sr*pf*corr;
+        RR[si][rRef] += sr*pr*corr;
+    }
+}
+
+
 template<class ChemistryModel>
 void Foam::EulerImplicit<ChemistryModel>::solve
 (
@@ -62,8 +97,6 @@ void Foam::EulerImplicit<ChemistryModel>::solve
     scalar& subDeltaT
 ) const
 {
-    deltaT = min(deltaT, subDeltaT);
-
     const label nSpecie = this->nSpecie();
     simpleMatrix<scalar> RR(nSpecie, 0, 0);
 
@@ -84,10 +117,7 @@ void Foam::EulerImplicit<ChemistryModel>::solve
     }
     scalar ha = mixture.Ha(p, T);
 
-    for (label i=0; i<nSpecie; i++)
+    scalar deltaTEst = min(deltaT, subDeltaT);
-    {
-        RR.source()[i] = c[i]/deltaT;
-    }
 
     forAll(this->reactions(), i)
     {
@@ -101,24 +131,54 @@ void Foam::EulerImplicit<ChemistryModel>::solve
         {
             if (omegai < 0.0)
             {
-                corr = 1.0/(1.0 + pr*deltaT);
+                corr = 1.0/(1.0 + pr*deltaTEst);
             }
             else
             {
-                corr = 1.0/(1.0 + pf*deltaT);
+                corr = 1.0/(1.0 + pf*deltaTEst);
             }
         }
 
-        this->updateRRInReactionI(i, pr, pf, corr, lRef, rRef, p, T, RR);
+        updateRRInReactionI(i, pr, pf, corr, lRef, rRef, p, T, RR);
     }
 
+    // Calculate the stable/accurate time-step
+    scalar tMin = GREAT;
 
     for (label i=0; i<nSpecie; i++)
     {
-        RR[i][i] += 1.0/deltaT;
+        scalar d = 0;
+        for (label j=0; j<nSpecie; j++)
+        {
+            d -= RR[i][j]*c[j];
+        }
+
+        if (d < -SMALL)
+        {
+            tMin = min(tMin, -(c[i] + SMALL)/d);
+        }
+        else
+        {
+            d = max(d, SMALL);
+            scalar cm = max(cTot - c[i], 1.0e-5);
+            tMin = min(tMin, cm/d);
+        }
     }
 
+    subDeltaT = cTauChem_*tMin;
+    deltaT = min(deltaT, subDeltaT);
+
+    // Add the diagonal and source contributions from the time-derivative
+    for (label i=0; i<nSpecie; i++)
+    {
+        RR[i][i] += 1.0/deltaT;
+        RR.source()[i] = c[i]/deltaT;
+    }
+
+    // Solve for the new composition
     c = RR.LUsolve();
+
+    // Limit the composition
     for (label i=0; i<nSpecie; i++)
     {
         c[i] = max(0.0, c[i]);
@@ -133,39 +193,14 @@ void Foam::EulerImplicit<ChemistryModel>::solve
     }
     T = mixture.THa(ha, p, T);
 
-    // Estimate the next time step
+    /*
-    scalar tMin = GREAT;
-    const label nEqns = this->nEqns();
-
     for (label i=0; i<nSpecie; i++)
     {
         cTp_[i] = c[i];
     }
     cTp_[nSpecie] = T;
     cTp_[nSpecie+1] = p;
-
+    */
-    scalarField dcdt(nEqns, 0.0);
-    this->derivatives(0.0, cTp_, dcdt);
-
-    const scalar sumC = sum(c);
-
-    for (label i=0; i<nSpecie; i++)
-    {
-        scalar d = dcdt[i];
-
-        if (d < -SMALL)
-        {
-            tMin = min(tMin, -(c[i] + SMALL)/d);
-        }
-        else
-        {
-            d = max(d, SMALL);
-            scalar cm = max(sumC - c[i], 1.0e-5);
-            tMin = min(tMin, cm/d);
-        }
-    }
-
-    subDeltaT = cTauChem_*tMin;
 }
 
 

src/thermophysicalModels/chemistryModel/chemistrySolver/EulerImplicit/EulerImplicit.H

@@ -87,6 +87,19 @@ public:
 
     // Member Functions
 
+    void updateRRInReactionI
+    (
+        const label index,
+        const scalar pr,
+        const scalar pf,
+        const scalar corr,
+        const label lRef,
+        const label rRef,
+        const scalar p,
+        const scalar T,
+        simpleMatrix<scalar>& RR
+    ) const;
+
         //- Update the concentrations and return the chemical time
         virtual void solve
         (

src/thermophysicalModels/chemistryModel/chemistrySolver/chemistrySolver/makeChemistrySolverTypes.H

@@ -31,7 +31,6 @@ License
 #include "chemistryModel.H"
 
 #include "noChemistrySolver.H"
-#include "sequential.H"
 #include "EulerImplicit.H"
 #include "ode.H"
 
@@ -79,13 +78,6 @@ License
         CompChemModel,                                                        \
         Thermo                                                                \
     );                                                                        \
-                                                                              \
-    makeChemistrySolverType                                                   \
-    (                                                                         \
-        sequential,                                                           \
-        CompChemModel,                                                        \
-        Thermo                                                                \
-    );
 
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //

src/thermophysicalModels/chemistryModel/chemistrySolver/sequential/sequential.C

@@ -1,118 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2011-2013 OpenFOAM Foundation
-     \\/     M anipulation  |
--------------------------------------------------------------------------------
-License
-    This file is part of OpenFOAM.
-
-    OpenFOAM is free software: you can redistribute it and/or modify it
-    under the terms of the GNU General Public License as published by
-    the Free Software Foundation, either version 3 of the License, or
-    (at your option) any later version.
-
-    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
-    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
-    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
-    for more details.
-
-    You should have received a copy of the GNU General Public License
-    along with OpenFOAM.  If not, see <http://www.gnu.org/licenses/>.
-
-\*---------------------------------------------------------------------------*/
-
-#include "sequential.H"
-#include "addToRunTimeSelectionTable.H"
-
-// * * * * * * * * * * * * * * * * Constructors  * * * * * * * * * * * * * * //
-
-template<class ChemistryModel>
-Foam::sequential<ChemistryModel>::sequential
-(
-    const fvMesh& mesh
-)
-:
-    chemistrySolver<ChemistryModel>(mesh),
-    coeffsDict_(this->subDict("sequentialCoeffs")),
-    cTauChem_(readScalar(coeffsDict_.lookup("cTauChem"))),
-    eqRateLimiter_(coeffsDict_.lookup("equilibriumRateLimiter"))
-{}
-
-
-// * * * * * * * * * * * * * * * * Destructor  * * * * * * * * * * * * * * * //
-
-template<class ChemistryModel>
-Foam::sequential<ChemistryModel>::~sequential()
-{}
-
-
-// * * * * * * * * * * * * * * * Member Functions  * * * * * * * * * * * * * //
-
-template<class ChemistryModel>
-void Foam::sequential<ChemistryModel>::solve
-(
-    scalarField& c,
-    scalar& T,
-    scalar& p,
-    scalar& deltaT,
-    scalar& subDeltaT
-) const
-{
-    deltaT = min(deltaT, subDeltaT);
-
-    const label nSpecie = this->nSpecie();
-
-    // Calculate the absolute enthalpy
-    scalar cTot = sum(c);
-    typename ChemistryModel::thermoType mixture
-    (
-        (c[0]/cTot)*this->specieThermo_[0]
-    );
-    for (label i=1; i<nSpecie; i++)
-    {
-        mixture += (c[i]/cTot)*this->specieThermo_[i];
-    }
-    scalar ha = mixture.Ha(p, T);
-
-    scalar tChemInv = SMALL;
-
-    forAll(this->reactions(), i)
-    {
-        scalar pf, cf, pb, cb;
-        label lRef, rRef;
-
-        scalar omega = this->omegaI(i, c, T, p, pf, cf, lRef, pb, cb, rRef);
-
-        if (eqRateLimiter_)
-        {
-            if (omega < 0.0)
-            {
-                omega /= 1.0 + pb*deltaT;
-            }
-            else
-            {
-                omega /= 1.0 + pf*deltaT;
-            }
-        }
-
-        tChemInv = max(tChemInv, mag(omega));
-
-        this->updateConcsInReactionI(i, deltaT, omega, p, T, c);
-    }
-
-    // Update the temperature
-    cTot = sum(c);
-    mixture = (c[0]/cTot)*this->specieThermo_[0];
-    for (label i=1; i<nSpecie; i++)
-    {
-        mixture += (c[i]/cTot)*this->specieThermo_[i];
-    }
-    T = mixture.THa(ha, p, T);
-
-    subDeltaT = cTauChem_/tChemInv;
-}
-
-
-// ************************************************************************* //

src/thermophysicalModels/chemistryModel/chemistrySolver/sequential/sequential.H

@@ -1,112 +0,0 @@
-/*---------------------------------------------------------------------------*\
-  =========                 |
-  \\      /  F ield         | OpenFOAM: The Open Source CFD Toolbox
-   \\    /   O peration     |
-    \\  /    A nd           | Copyright (C) 2011-2013 OpenFOAM Foundation
-     \\/     M anipulation  |
--------------------------------------------------------------------------------
-License
-    This file is part of OpenFOAM.
-
-    OpenFOAM is free software: you can redistribute it and/or modify it
-    under the terms of the GNU General Public License as published by
-    the Free Software Foundation, either version 3 of the License, or
-    (at your option) any later version.
-
-    OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
-    ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
-    FITNESS FOR A PARTICULAR PURPOSE.  See the GNU General Public License
-    for more details.
-
-    You should have received a copy of the GNU General Public License
-    along with OpenFOAM.  If not, see <http://www.gnu.org/licenses/>.
-
-Class
-    Foam::sequential
-
-Description
-    Foam::sequential
-
-SourceFiles
-    sequential.C
-
-\*---------------------------------------------------------------------------*/
-
-#ifndef sequential_H
-#define sequential_H
-
-#include "chemistrySolver.H"
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-namespace Foam
-{
-
-/*---------------------------------------------------------------------------*\
-                         Class sequential Declaration
-\*---------------------------------------------------------------------------*/
-
-template<class ChemistryModel>
-class sequential
-:
-    public chemistrySolver<ChemistryModel>
-{
-    // Private data
-
-        //- Coefficients dictionary
-        dictionary coeffsDict_;
-
-        // Model constants
-
-            //- Chemistry time scale
-            scalar cTauChem_;
-
-            //- Equilibrium rate limiter flag (on/off)
-            Switch eqRateLimiter_;
-
-
-public:
-
-    //- Runtime type information
-    TypeName("sequential");
-
-
-    // Constructors
-
-        //- Construct from mesh
-        sequential(const fvMesh& mesh);
-
-
-    //- Destructor
-    virtual ~sequential();
-
-
-    // Member Functions
-
-        //- Update the concentrations and return the chemical time
-        virtual void solve
-        (
-            scalarField& c,
-            scalar& T,
-            scalar& p,
-            scalar& deltaT,
-            scalar& subDeltaT
-        ) const;
-};
-
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-} // End namespace Foam
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-#ifdef NoRepository
-#   include "sequential.C"
-#endif
-
-// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
-
-#endif
-
-// ************************************************************************* //

src/thermophysicalModels/solidChemistryModel/pyrolysisChemistryModel/pyrolysisChemistryModel.C

@@ -512,70 +512,6 @@ calculate()
 }
 
 
-template<class CompType, class SolidThermo, class GasThermo>
-void Foam::pyrolysisChemistryModel<CompType, SolidThermo, GasThermo>::
-updateConcsInReactionI
-(
-    const label index,
-    const scalar dt,
-    const scalar omeg,
-    const scalar p,
-    const scalar T,
-    scalarField& c
-) const
-{
-     // update species
-    const Reaction<SolidThermo>& R = this->reactions_[index];
-    scalar rhoL = 0.0;
-    forAll(R.lhs(), s)
-    {
-        label si = R.lhs()[s].index;
-        rhoL = this->solidThermo_[si].rho(p, T);
-        c[si] -= dt*omeg;
-        c[si] = max(0.0, c[si]);
-    }
-
-    scalar sr = 0.0;
-    forAll(R.rhs(), s)
-    {
-        label si = R.rhs()[s].index;
-        const scalar rhoR = this->solidThermo_[si].rho(p, T);
-        sr = rhoR/rhoL;
-        c[si] += dt*sr*omeg;
-        c[si] = max(0.0, c[si]);
-    }
-
-    forAll(R.grhs(), g)
-    {
-        label gi = R.grhs()[g].index;
-        c[gi + this->nSolids_] += (1.0 - sr)*omeg*dt;
-    }
-}
-
-
-template<class CompType, class SolidThermo, class GasThermo>
-void Foam::pyrolysisChemistryModel<CompType, SolidThermo, GasThermo>::
-updateRRInReactionI
-(
-    const label index,
-    const scalar pr,
-    const scalar pf,
-    const scalar corr,
-    const label lRef,
-    const label rRef,
-    const scalar p,
-    const scalar T,
-    simpleMatrix<scalar>& RR
-) const
-{
-    notImplemented
-    (
-        "void Foam::pyrolysisChemistryModel<CompType, SolidThermo,GasThermo>::"
-        "updateRRInReactionI"
-    );
-}
-
-
 template<class CompType, class SolidThermo, class GasThermo>
 Foam::scalar
 Foam::pyrolysisChemistryModel<CompType, SolidThermo, GasThermo>::solve

src/thermophysicalModels/solidChemistryModel/pyrolysisChemistryModel/pyrolysisChemistryModel.H

@@ -176,34 +176,6 @@ public:
         //- Calculates the reaction rates
         virtual void calculate();
 
-        //- Update concentrations in reaction i given dt and reaction rate
-        // omega used by sequential solver
-        virtual void updateConcsInReactionI
-        (
-            const label i,
-            const scalar dt,
-            const scalar omega,
-            const scalar p,
-            const scalar T,
-            scalarField& c
-        ) const;
-
-
-        //- Update matrix RR for reaction i. Used by EulerImplicit
-        // (Not implemented)
-        virtual void updateRRInReactionI
-        (
-            const label i,
-            const scalar pr,
-            const scalar pf,
-            const scalar corr,
-            const label lRef,
-            const label rRef,
-            const scalar p,
-            const scalar T,
-            simpleMatrix<scalar>& RR
-        ) const;
-
 
         // Chemistry model functions
 

src/thermophysicalModels/solidChemistryModel/solidChemistryModel/solidChemistryModel.H

@@ -175,34 +175,6 @@ public:
         virtual void calculate() = 0;
 
 
-        //- Update concentrations in reaction i given dt and reaction rate
-        // omega used by sequential solver
-        virtual void updateConcsInReactionI
-        (
-            const label i,
-            const scalar dt,
-            const scalar omega,
-            const scalar p,
-            const scalar T,
-            scalarField& c
-        ) const = 0;
-
-
-        //- Update matrix RR for reaction i. Used by EulerImplicit
-        virtual void updateRRInReactionI
-        (
-            const label i,
-            const scalar pr,
-            const scalar pf,
-            const scalar corr,
-            const label lRef,
-            const label rRef,
-            const scalar p,
-            const scalar T,
-            simpleMatrix<scalar>& RR
-        ) const = 0;
-
-
         // Solid Chemistry model functions
 
             //- Return const access to the chemical source terms for solids

src/thermophysicalModels/solidChemistryModel/solidChemistrySolver/makeSolidChemistrySolverType.H

@@ -34,7 +34,6 @@ Description
 
 #include "noChemistrySolver.H"
 #include "EulerImplicit.H"
-#include "sequential.H"
 #include "ode.H"
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
@@ -84,15 +83,7 @@ namespace Foam
         SThermo,                                                              \
         GThermo                                                               \
     );                                                                        \
-                                                                              \
+
-    makeSolidChemistrySolverType                                              \
-    (                                                                         \
-        sequential,                                                           \
-        SolidChem,                                                            \
-        Comp,                                                                 \
-        SThermo,                                                              \
-        GThermo                                                               \
-    );
 
 // * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
 

tutorials/combustion/LTSReactingFoam/ras/counterFlowFlame2D/constant/chemistryProperties

@@ -25,14 +25,9 @@ chemistry           on;
 
 initialChemicalTimeStep 1e-07;
 
-sequentialCoeffs
-{
-    cTauChem        0.001;
-}
-
 EulerImplicitCoeffs
 {
-    cTauChem        0.05;
+    cTauChem        1;
     equilibriumRateLimiter off;
 }
 

tutorials/combustion/chemFoam/gri/constant/chemistryProperties

@@ -23,7 +23,13 @@ chemistryType
 
 chemistry       on;
 
-initialChemicalTimeStep 1e-10;
+initialChemicalTimeStep 1e-6;
+
+EulerImplicitCoeffs
+{
+    cTauChem        1;
+    equilibriumRateLimiter off;
+}
 
 odeCoeffs
 {

tutorials/combustion/reactingFoam/ras/counterFlowFlame2D/constant/chemistryProperties

@@ -25,11 +25,6 @@ chemistry           on;
 
 initialChemicalTimeStep 1e-07;
 
-sequentialCoeffs
-{
-    cTauChem        0.05;
-}
-
 EulerImplicitCoeffs
 {
     cTauChem        1;

tutorials/lagrangian/coalChemistryFoam/simplifiedSiwek/constant/chemistryProperties

@@ -25,12 +25,6 @@ chemistry       on;
 
 initialChemicalTimeStep 1e-07;
 
-sequentialCoeffs
-{
-    cTauChem        0.001;
-    equilibriumRateLimiter off;
-}
-
 EulerImplicitCoeffs
 {
     cTauChem        0.05;

tutorials/lagrangian/reactingParcelFoam/filter/constant/chemistryProperties

@@ -25,12 +25,6 @@ chemistry       off;
 
 initialChemicalTimeStep 1e-07;
 
-sequentialCoeffs
-{
-    cTauChem        0.001;
-    equilibriumRateLimiter off;
-}
-
 EulerImplicitCoeffs
 {
     cTauChem        0.05;

tutorials/lagrangian/reactingParcelFoam/parcelInBox/constant/chemistryProperties

@@ -25,12 +25,6 @@ chemistry       off;
 
 initialChemicalTimeStep 1e-07;
 
-sequentialCoeffs
-{
-    cTauChem        0.001;
-    equilibriumRateLimiter off;
-}
-
 EulerImplicitCoeffs
 {
     cTauChem        0.05;

tutorials/lagrangian/reactingParcelFoam/verticalChannel/constant/chemistryProperties

@@ -25,12 +25,6 @@ chemistry       off;
 
 initialChemicalTimeStep 1e-07;
 
-sequentialCoeffs
-{
-    cTauChem        0.001;
-    equilibriumRateLimiter off;
-}
-
 EulerImplicitCoeffs
 {
     cTauChem        0.05;