From 7914dffb52cfa303bf5716a5eff07dec71effd75 Mon Sep 17 00:00:00 2001 From: ekinaci Date: Fri, 29 Jun 2018 15:14:19 +0200 Subject: [PATCH] Documentation for chemistryModels --- doc/chemistrModel.html | 51 +++++++++++++ doc/chemistryModel.txt | 47 ++++++++++++ doc/chemistryModel_diffusionCoefficients.html | 62 ++++++++++++++++ doc/chemistryModel_diffusionCoefficients.txt | 56 ++++++++++++++ doc/chemistryModel_massTransferCoeff.html | 52 +++++++++++++ doc/chemistryModel_massTransferCoeff.txt | 48 ++++++++++++ doc/chemistryModel_species.html | 74 +++++++++++++++++++ doc/chemistryModel_species.txt | 63 ++++++++++++++++ 8 files changed, 453 insertions(+) create mode 100644 doc/chemistrModel.html create mode 100644 doc/chemistryModel.txt create mode 100644 doc/chemistryModel_diffusionCoefficients.html create mode 100644 doc/chemistryModel_diffusionCoefficients.txt create mode 100644 doc/chemistryModel_massTransferCoeff.html create mode 100644 doc/chemistryModel_massTransferCoeff.txt create mode 100644 doc/chemistryModel_species.html create mode 100644 doc/chemistryModel_species.txt diff --git a/doc/chemistrModel.html b/doc/chemistrModel.html new file mode 100644 index 00000000..c89115e5 --- /dev/null +++ b/doc/chemistrModel.html @@ -0,0 +1,51 @@ + +
CFDEMproject WWW Site - CFDEM Commands +
+ + + + +
+ +

chemistryModel command +

+

Syntax: +

+

Defined in couplingProperties dictionary. +

+
chemistryModels
+(
+    model_x
+    model_y
+); 
+
+ +

Examples: +

+
chemistryModels
+(
+    species
+    diffusionCoefficients
+    massTransferCoeff
+); 
+
+

Note: This examples list might not be complete - please look for other models (forceModel_XY) in this documentation. +

+

Description: +

+

The chemistry model initialized the fields performs calculation of molar fractions and diffusion coefficients of the gaseous reactants at the location of each DEM particle. All models are executed sequentially. These values are used in the DEM calculation of particle reduction models. +

+

Restrictions: +

+

None. +

+

Related commands: +

+

species, diffusionCoefficient, massTransferCoeff +

+

Note: This examples list may be incomplete - please look for other models (forceModel_XY) in this documentation. +

+

Default: none. +

+ diff --git a/doc/chemistryModel.txt b/doc/chemistryModel.txt new file mode 100644 index 00000000..3a58e334 --- /dev/null +++ b/doc/chemistryModel.txt @@ -0,0 +1,47 @@ +"CFDEMproject WWW Site"_lws - "CFDEM Commands"_lc :c + +:link(lws,http://www.cfdem.com) +:link(lc,CFDEMcoupling_Manual.html#comm) + +:line + +chemistryModel command :h3 + +[Syntax:] + +Defined in couplingProperties dictionary. + +chemistryModels +( + model_x + model_y +); :pre + +model = name of chemistry model to be applied :ul + +[Examples:] + +chemistryModels +( + species + diffusionCoefficients + massTransferCoeff +); :pre + +Note: This examples list might not be complete - please look for other models (forceModel_XY) in this documentation. + +[Description:] + +The chemistry model initialized the fields performs calculation of molar fractions and diffusion coefficients of the gaseous reactants at the location of each DEM particle. All models are executed sequentially. These values are used in the DEM calculation of particle reduction models. + +[Restrictions:] + +None. + +[Related commands:] + +"species"_chemistryModel_species.html, "diffusionCoefficient"_chemistryModel_diffusionCoefficient.html, "massTransferCoeff"_chemistryModel_massTransferCoeffs.html + +Note: This examples list may be incomplete - please look for other models (forceModel_XY) in this documentation. + +[Default:] none. diff --git a/doc/chemistryModel_diffusionCoefficients.html b/doc/chemistryModel_diffusionCoefficients.html new file mode 100644 index 00000000..94c463dd --- /dev/null +++ b/doc/chemistryModel_diffusionCoefficients.html @@ -0,0 +1,62 @@ + +
CFDEMproject WWW Site - CFDEM Commands +
+ + + + +
+ +

chemistryModel_diffusionCoefficients command +

+

Syntax: +

+

Defined in couplingProperties dictionary. +

+
chemistryModels
+(
+    diffusionCoefficients
+);
+diffusionCoefficientsProps
+{
+    verbose			switch1;        
+    ChemistryFile 		"$casePath/CFD/constant/foam.inp";
+     diffusantGasNames          ( speciesNames ); 
+}; 
+
+
  • switch1 = (optional, normally off) flag to give information + + +

    Examples: +

    +
    chemistryModels	
+(
+    diffusionCoefficients
+);
+speciesProps
+{
+    verbose			false;        
+    ChemistryFile 		"$casePath/CFD/constant/foam.inp";
+    diffusantGasNames       (    CO
+                                 H2
+                            ); 
+} 
+
    +

    Description: +

    +

    The chemistry model performs the calculation of chemical reactional effects acting on each DEM particle. The diffusionCoefficients model activates the binary molecular diffusion calculation of the reacting species using the Fuller-Schettler-Giddings correlation. +

    +

    Restrictions: +

    +

    Species model needs to be active. +

    +

    Related commands: +

    +

    chemistryModel +

    + diff --git a/doc/chemistryModel_diffusionCoefficients.txt b/doc/chemistryModel_diffusionCoefficients.txt new file mode 100644 index 00000000..8a116317 --- /dev/null +++ b/doc/chemistryModel_diffusionCoefficients.txt @@ -0,0 +1,56 @@ +"CFDEMproject WWW Site"_lws - "CFDEM Commands"_lc :c + +:link(lws,http://www.cfdem.com) +:link(lc,CFDEMcoupling_Manual.html#comm) + +:line + +chemistryModel_diffusionCoefficients command :h3 + +[Syntax:] + +Defined in couplingProperties dictionary. + +chemistryModels +( + diffusionCoefficients +); +diffusionCoefficientsProps +\{ + verbose switch1; + ChemistryFile "$casePath/CFD/constant/foam.inp"; + diffusantGasNames ( speciesNames ); +\}; :pre + +{switch1} = (optional, normally off) flag to give information :l +{ChemistryFile} = path to file, where the reacting species are listed :ulb,l +{diffusantGasNames} = list of gas field names that are the reactant gases :l +:ule + +[Examples:] + +chemistryModels +( + diffusionCoefficients +); +speciesProps +\{ + verbose false; + ChemistryFile "$casePath/CFD/constant/foam.inp"; + diffusantGasNames ( CO + H2 + ); +\} :pre + +[Description:] + +The chemistry model performs the calculation of chemical reactional effects acting on each DEM particle. The diffusionCoefficients model activates the binary molecular diffusion calculation of the reacting species using the Fuller-Schettler-Giddings correlation. + +[Restrictions:] + +Species model needs to be active. + +[Related commands:] + +"chemistryModel"_chemistryModel.html + diff --git a/doc/chemistryModel_massTransferCoeff.html b/doc/chemistryModel_massTransferCoeff.html new file mode 100644 index 00000000..a80c8d4a --- /dev/null +++ b/doc/chemistryModel_massTransferCoeff.html @@ -0,0 +1,52 @@ + +
    CFDEMproject WWW Site - CFDEM Commands +
    + + + + +
    + +

    chemistryModel_massTransferCoeff command +

    +

    Syntax: +

    +

    Defined in couplingProperties dictionary. +

    +
    chemistryModels
+(
+    massTransferCoeff
+);
+diffusionCoefficientsProps
+{
+    verbose			switch1;        
+}; 
+
    +
  • switch1 = (optional, normally off) flag to give information + + + +

    Examples: +

    +
    chemistryModels	
+(
+    massTransferCoeff
+);
+massTransferCoeffProps
+{
+     verbose 			false;	
+} 
+
    +

    Description: +

    +

    The chemistry model performs the calculation of chemical reactional effects acting on each DEM particle. The coeffs needed to calculate the mass transfer coefficients are transferred to the DEM side, where it is used in the fix_chem_shrink_core module. +

    +

    Restrictions: +

    +

    Species model needs to be active. +

    +

    Related commands: +

    +

    chemistryModel +

    + diff --git a/doc/chemistryModel_massTransferCoeff.txt b/doc/chemistryModel_massTransferCoeff.txt new file mode 100644 index 00000000..f0f04ba4 --- /dev/null +++ b/doc/chemistryModel_massTransferCoeff.txt @@ -0,0 +1,48 @@ +"CFDEMproject WWW Site"_lws - "CFDEM Commands"_lc :c + +:link(lws,http://www.cfdem.com) +:link(lc,CFDEMcoupling_Manual.html#comm) + +:line + +chemistryModel_massTransferCoeff command :h3 + +[Syntax:] + +Defined in couplingProperties dictionary. + +chemistryModels +( + massTransferCoeff +); +diffusionCoefficientsProps +\{ + verbose switch1; +\}; :pre + +{switch1} = (optional, normally off) flag to give information :l +:ule + +[Examples:] + +chemistryModels +( + massTransferCoeff +); +massTransferCoeffProps +\{ + verbose false; +\} :pre + +[Description:] + +The chemistry model performs the calculation of chemical reactional effects acting on each DEM particle. The coeffs needed to calculate the mass transfer coefficients are transferred to the DEM side, where it is used in the fix_chem_shrink_core module. + +[Restrictions:] + +Species model needs to be active. + +[Related commands:] + +"chemistryModel"_chemistryModel.html + diff --git a/doc/chemistryModel_species.html b/doc/chemistryModel_species.html new file mode 100644 index 00000000..7a4da001 --- /dev/null +++ b/doc/chemistryModel_species.html @@ -0,0 +1,74 @@ + +
    CFDEMproject WWW Site - CFDEM Commands +
    + + + + +
    + +

    chemistryModel_species command +

    +

    Syntax: +

    +

    Defined in couplingProperties dictionary. +

    +
    chemistryModels
+(
+    species
+);
+speciesProps
+{
+    ChemistryFile 		"$casePath/CFD/constant/foam.inp";
+    verbose			switch1;
+    tempFieldName		"T";
+    densityFieldName		"rho"
+    voidfractionFieldName	"voidfraction"
+    totalMoleFieldName		"molarConc"
+    partTempName		"partTemp"
+    partRhoName			"partRho"
+}; 
+
    + +

    Examples: +

    +
    chemistryModels	
+(
+    species
+);
+speciesProps
+{
+     ChemistryFile 		"$casePath/CFD/constant/foam.inp";
+     verbose			false;
+} 
+
    +

    Description: +

    +

    The chemistry model performs the calculation of chemical reactional effects acting on each DEM particle. The species model is the model, where the specified species fields (from the foam.inp folder) are intialized, and information such as temperature, density, molar concentration and more importantly the molar fractions are transferred to DEM side. +

    +

    Restrictions: +

    +

    none. +

    +

    Related commands: +

    +

    chemistryModel +

    + diff --git a/doc/chemistryModel_species.txt b/doc/chemistryModel_species.txt new file mode 100644 index 00000000..66f92a9d --- /dev/null +++ b/doc/chemistryModel_species.txt @@ -0,0 +1,63 @@ +"CFDEMproject WWW Site"_lws - "CFDEM Commands"_lc :c + +:link(lws,http://www.cfdem.com) +:link(lc,CFDEMcoupling_Manual.html#comm) + +:line + +chemistryModel_species command :h3 + +[Syntax:] + +Defined in couplingProperties dictionary. + +chemistryModels +( + species +); +speciesProps +\{ + ChemistryFile "$casePath/CFD/constant/foam.inp"; + verbose switch1; + tempFieldName "T"; + densityFieldName "rho" + voidfractionFieldName "voidfraction" + totalMoleFieldName "molarConc" + partTempName "partTemp" + partRhoName "partRho" +\}; :pre + +{ChemistryFile} = path to file, where the reacting species are listed :ulb,l +{T} = name of the finite volume temperature field, it is already added in default and doesn't need to be specified if name is the same :l +{rho} = name of the finite volume density field, it is already added in default and doesn't need to be specified if name is the same :l +{voidfraction} = name of the finite volume voidfraction field, it is already added in default and doesn't need to be specified if name is the same :l +{molarConc} = name of the finite volume molar concentration field, it is already added in default and doesn't need to be specified if name is the same :l +{partTemp} = name of the finite volume cell averaged particle temperature field, it is already added in default and doesn't need to be specified if name is the same :l +{partRho} = name of the finite volume cell averaged density temperature field, it is already added in default and doesn't need to be specified if name is the same :l +{switch1} = (optional, normally off) flag to give information :l +:ule + +[Examples:] + +chemistryModels +( + species +); +speciesProps +\{ + ChemistryFile "$casePath/CFD/constant/foam.inp"; + verbose false; +\} :pre + +[Description:] + +The chemistry model performs the calculation of chemical reactional effects acting on each DEM particle. The species model is the model, where the specified species fields (from the foam.inp folder) are intialized, and information such as temperature, density, molar concentration and more importantly the molar fractions are transferred to DEM side. + +[Restrictions:] + +none. + +[Related commands:] + +"chemistryModel"_chemistryModel.html +