diff --git a/doc/html/fix_eos_table_rx.html b/doc/html/fix_eos_table_rx.html index c9db07b19e..6ae5c9ea01 100644 --- a/doc/html/fix_eos_table_rx.html +++ b/doc/html/fix_eos_table_rx.html @@ -154,7 +154,7 @@ of state to relate the concentration-dependent particle internal energy (u_i) to the particle internal temperature (dpdTheta_i).

The concentration-dependent particle internal energy (u_i) is computed according to the following relation:

-Eqs/fix_eos_table_rx.jpg +_images/fix_eos_table_rx.jpg

where m is the number of species, c_i,j is the concentration of species j in particle i, u_j is the internal energy of species j, DeltaH_f,j is the heat of formation of species j, N is the number of diff --git a/doc/html/fix_rx.html b/doc/html/fix_rx.html index 752afbe7ef..cc3341ad21 100644 --- a/doc/html/fix_rx.html +++ b/doc/html/fix_rx.html @@ -153,9 +153,9 @@

Fix rx solves the reaction kinetic ODEs for a given reaction set that is defined within the file associated with this command.

For a general reaction such that

-Eqs/fix_rx_reaction.jpg +_images/fix_rx_reaction.jpg

the reaction rate equation is defined to be of the form

-Eqs/fix_rx_reactionRate.jpg +_images/fix_rx_reactionRate.jpg

In the current implementation, the exponents are defined to be equal to the stoichiometric coefficients. A given reaction set consisting of n reaction equations will contain a total of m species. A set of m ordinary @@ -180,7 +180,7 @@ coefficient. The only delimiters that are recognized between the species are either a + or = character. The = character corresponds to an irreversible reaction. After specifying the reaction, the reaction rate constant is determined through the temperature dependent Arrhenius equation:

-Eqs/fix_rx.jpg +_images/fix_rx.jpg

where A is the Arrhenius factor in time units or concentration/time units, n is the unitless exponent of the temperature dependence, and E_a is the activation energy in energy units. The temperature dependence can be removed @@ -190,9 +190,9 @@ reaction rate constants at every DPD timestep by specifying the keyword none Alternatively, the keyword lucy can be specified to compute a local-average particle internal temperature for use in the reaction rate constant expressions. The local-average particle internal temperature is defined as:

-Eqs/fix_rx_localTemp.jpg +_images/fix_rx_localTemp.jpg

where the Lucy function is expressed as:

-Eqs/fix_rx_localTemp2.jpg +_images/fix_rx_localTemp2.jpg

The self-particle interaction is included in the above equation.

The format of a tabulated file is as follows (without the parenthesized comments):

diff --git a/doc/html/pair_exp6_rx.html b/doc/html/pair_exp6_rx.html index b6b354ed7b..cbbe26c5b3 100644 --- a/doc/html/pair_exp6_rx.html +++ b/doc/html/pair_exp6_rx.html @@ -152,7 +152,7 @@ from a set of n reaction rate equations through the +_images/pair_exp6_rx.jpg

where the epsilon parameter determines the depth of the potential minimum located at Rm, and alpha determines the softness of the repulsion.

The coefficients must be defined for each species in a given particle type @@ -195,9 +195,9 @@ parameter (distance units). If a species tag of “1fluid” is listed pair coefficient, a one-fluid approximation is specified where a concentration-dependent combination of the parameters is computed through the following equations:

-Eqs/pair_exp6_rx_oneFluid.jpg +_images/pair_exp6_rx_oneFluid.jpg

where

-Eqs/pair_exp6_rx_oneFluid2.jpg +_images/pair_exp6_rx_oneFluid2.jpg

and xa and xb are the mole fractions of a and b, respectively, which comprise the gas mixture.