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Fixed a bunch of spelling issues

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This commit is contained in:
Ray Speth 2012-08-17 16:43:34 +00:00
parent 01a9bdcf58
commit 85d9d360c7
47 changed files with 156 additions and 157 deletions
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12
include/cantera/base/ctml.h
View file

@ -316,7 +316,7 @@ void getMap(const Cantera::XML_Node& node, std::map<std::string, std::string>& m
//! This function interprets the value portion of an XML element //! This function interprets the value portion of an XML element
//! as a series of "Pairs" separated by white space. //! as a series of "Pairs" separated by white space.
/*! /*!
* Each pair consists of nonwhite-space characters. * Each pair consists of non-whitespace characters.
* The first ":" found in the pair string is used to separate * The first ":" found in the pair string is used to separate
* the string into two parts. The first part is called the "key" * the string into two parts. The first part is called the "key"
* The second part is called the "val". * The second part is called the "val".
@ -351,7 +351,7 @@ int getPairs(const Cantera::XML_Node& node, std::vector<std::string>& key,
//! This function interprets the value portion of an XML element //! This function interprets the value portion of an XML element
//! as a series of "Matrix ids and entries" separated by white space. //! as a series of "Matrix ids and entries" separated by white space.
/*! /*!
* Each pair consists of nonwhite-space characters. * Each pair consists of non-whitespace characters.
* The first two ":" found in the pair string is used to separate * The first two ":" found in the pair string is used to separate
* the string into three parts. The first part is called the first * the string into three parts. The first part is called the first
* key. The second part is the second key. Both parts must match * key. The second part is the second key. Both parts must match
@ -384,7 +384,7 @@ int getPairs(const Cantera::XML_Node& node, std::vector<std::string>& key,
* @param keyStringCol Key string for the column entries * @param keyStringCol Key string for the column entries
* @param returnValues Return Matrix. * @param returnValues Return Matrix.
* @param convert If this is true, and if the node has a units * @param convert If this is true, and if the node has a units
* attribute, then conversion to si units is carried * attribute, then conversion to SI units is carried
* out. Default is true. * out. Default is true.
* @param matrixSymmetric If true entries are made so that the matrix * @param matrixSymmetric If true entries are made so that the matrix
* is always symmetric. Default is false. * is always symmetric. Default is false.
@ -755,7 +755,7 @@ void getNamedStringValue(const Cantera::XML_Node& node, const std::string& nameS
* Code snippet: * Code snippet:
* @verbatim * @verbatim
const XML_Node &parent; const XML_Node &parent;
string nameString = "vacency_species"; string nameString = "vacancy_species";
string valueString = getChildValue(parent, nameString string valueString = getChildValue(parent, nameString
std::string typeString); std::string typeString);
@endverbatim @endverbatim
@ -765,9 +765,9 @@ void getNamedStringValue(const Cantera::XML_Node& node, const std::string& nameS
* from the following the snippet in the XML file: * from the following the snippet in the XML file:
* *
* @verbatim * @verbatim
<vacencySpecies> <vacancySpecies>
O(V) O(V)
<\vancencySpecies> <\vacancySpecies>
@endverbatim @endverbatim
* *
* @param parent parent reference to the XML_Node object of the parent XML element * @param parent parent reference to the XML_Node object of the parent XML element

2
include/cantera/equil/MultiPhase.h
View file

@ -419,7 +419,7 @@ public:
/// Volume [m^3]. /// Volume [m^3].
/*! /*!
* Returns the cummulative sum of the volumes of all the * Returns the cumulative sum of the volumes of all the
* phases in the %MultiPhase. * phases in the %MultiPhase.
*/ */
doublereal volume() const; doublereal volume() const;

6
include/cantera/equil/vcs_defs.h
View file

@ -168,7 +168,7 @@ namespace VCSnonideal
//! Species is a SS phase, that is currently zeroed out. //! Species is a SS phase, that is currently zeroed out.
/*! /*!
* The species lies in a single-species phase which * The species lies in a single-species phase which
* is currently zereod out. * is currently zeroed out.
*/ */
#define VCS_SPECIES_ZEROEDSS -3 #define VCS_SPECIES_ZEROEDSS -3
@ -185,7 +185,7 @@ namespace VCSnonideal
/*! /*!
* The unknown is equal to the interfacial voltage * The unknown is equal to the interfacial voltage
* drop across the interface on the SHE (standard * drop across the interface on the SHE (standard
* hyrdogen electrode) scale (volts). * hydrogen electrode) scale (volts).
*/ */
#define VCS_SPECIES_INTERFACIALVOLTAGE -5 #define VCS_SPECIES_INTERFACIALVOLTAGE -5
@ -363,7 +363,7 @@ namespace VCSnonideal
/*! /*!
* Typically, these species are electrons in metals. There is an * Typically, these species are electrons in metals. There is an
* infinite supply of them. However, their electrical potential * infinite supply of them. However, their electrical potential
* is ddefined by the interface voltage. * is defined by the interface voltage.
*/ */
#define VCS_SPECIES_TYPE_INTERFACIALVOLTAGE -5 #define VCS_SPECIES_TYPE_INTERFACIALVOLTAGE -5
//@} //@}

22
include/cantera/equil/vcs_solve.h
View file

@ -120,7 +120,7 @@ public:
//! Main routine that solves for equilibrium at constant T and P //! Main routine that solves for equilibrium at constant T and P
//! using a variant of the VCS method //! using a variant of the VCS method
/*! /*!
* This is the main routine taht solves for equilibrium at constant T and P * This is the main routine that solves for equilibrium at constant T and P
* using a variant of the VCS method. Nonideal phases can be accommodated * using a variant of the VCS method. Nonideal phases can be accommodated
* as well. * as well.
* *
@ -232,7 +232,7 @@ public:
* *
* @param molNum Mole number vector * @param molNum Mole number vector
* @param j index into molNum[] that indicates where the search will start from * @param j index into molNum[] that indicates where the search will start from
* Previous successful components are swapped into the fronto of * Previous successful components are swapped into the front of
* molNum[]. * molNum[].
* @param n Length of molNum[] * @param n Length of molNum[]
*/ */
@ -633,7 +633,7 @@ public:
/*! /*!
* Calculate deltag of formation for all species in a single * Calculate deltag of formation for all species in a single
* phase. It is assumed that the fe[] is up to date for all species. * phase. It is assumed that the fe[] is up to date for all species.
* Howevever, if the phase is currently zereoed out, a subproblem * However, if the phase is currently zeroed out, a subproblem
* is calculated to solve for AC[i] and pseudo-X[i] for that * is calculated to solve for AC[i] and pseudo-X[i] for that
* phase. * phase.
* *
@ -1151,7 +1151,7 @@ private:
*/ */
int vcs_delete_species(const size_t kspec); int vcs_delete_species(const size_t kspec);
//! This routine handles the bookkeepking involved with the //! This routine handles the bookkeeping involved with the
//! deletion of multiphase phases from the problem. //! deletion of multiphase phases from the problem.
/*! /*!
* When they are deleted, all of their species become active * When they are deleted, all of their species become active
@ -1314,7 +1314,7 @@ private:
* *
* along the current direction m_deltaMolNumSpecies[], by choosing a value, al: (0<al<1) * along the current direction m_deltaMolNumSpecies[], by choosing a value, al: (0<al<1)
* such that the a parabola approximation to Gibbs(al) fit to the * such that the a parabola approximation to Gibbs(al) fit to the
* end points al = 0 and al = 1 is minimizied. * end points al = 0 and al = 1 is minimized.
* s1 = slope of Gibbs function at al = 0, which is the previous * s1 = slope of Gibbs function at al = 0, which is the previous
* solution = d(Gibbs)/d(al). * solution = d(Gibbs)/d(al).
* s2 = slope of Gibbs function at al = 1, which is the current * s2 = slope of Gibbs function at al = 1, which is the current
@ -1326,7 +1326,7 @@ private:
*/ */
bool vcs_globStepDamp(); bool vcs_globStepDamp();
//! Switch rows and columns of a sqare matrix //! Switch rows and columns of a square matrix
/*! /*!
* Switches the row and column of a matrix. * Switches the row and column of a matrix.
* So that after * So that after
@ -1334,7 +1334,7 @@ private:
* J[k1][j] = J_old[k2][j] and J[j][k1] = J_old[j][k2] * J[k1][j] = J_old[k2][j] and J[j][k1] = J_old[j][k2]
* J[k2][j] = J_old[k1][j] and J[j][k2] = J_old[j][k1] * J[k2][j] = J_old[k1][j] and J[j][k2] = J_old[j][k1]
* *
* @param Jac Double pointer to the jacobiam * @param Jac Double pointer to the Jacobian
* @param k1 first row/column value to be switched * @param k1 first row/column value to be switched
* @param k2 second row/column value to be switched * @param k2 second row/column value to be switched
*/ */
@ -1407,7 +1407,7 @@ private:
const size_t irxn, const double* const molNum, const size_t irxn, const double* const molNum,
double* const ac, double* const mu_i); double* const ac, double* const mu_i);
//! Delete memory that isn't just resizeable STL containers //! Delete memory that isn't just resizable STL containers
/*! /*!
* This gets called by the destructor or by InitSizes(). * This gets called by the destructor or by InitSizes().
*/ */
@ -1814,8 +1814,8 @@ public:
* Its concentration is currently zero. * Its concentration is currently zero.
* - VCS_SPECIES_ZEROEDMS * - VCS_SPECIES_ZEROEDMS
* -3 -> Species lies in a single-species phase which * -3 -> Species lies in a single-species phase which
* is currently zereod out. * is currently zeroed out.
* - VCS_SPECIES_ZEREODSS * - VCS_SPECIES_ZEROEDSS
* -4 -> Species has such a small mole fraction it is * -4 -> Species has such a small mole fraction it is
* deleted even though its phase may possibly exist. * deleted even though its phase may possibly exist.
* The species is believed to have such a small * The species is believed to have such a small
@ -1826,7 +1826,7 @@ public:
* -5 -> Species refers to an electron in the metal * -5 -> Species refers to an electron in the metal
* The unknown is equal to the interfacial voltage * The unknown is equal to the interfacial voltage
* drop across the interface on the SHE (standard * drop across the interface on the SHE (standard
* hydroogen electrode) scale (volts). * hydrogen electrode) scale (volts).
* - VCS_SPECIES_INTERFACIALVOLTAGE * - VCS_SPECIES_INTERFACIALVOLTAGE
* -6 -> Species lies in a multicomponent phase that * -6 -> Species lies in a multicomponent phase that
* is zeroed atm and will stay deleted due to a * is zeroed atm and will stay deleted due to a

2
include/cantera/kinetics/ReactionData.h
View file

@ -68,7 +68,7 @@ public:
//! Vector of rate coefficient parameters //! Vector of rate coefficient parameters
vector_fp rateCoeffParameters; vector_fp rateCoeffParameters;
//! Vector of auxillary rate coefficient parameters //! Vector of auxiliary rate coefficient parameters
vector_fp auxRateCoeffParameters; vector_fp auxRateCoeffParameters;
int falloffType; int falloffType;

2
include/cantera/kinetics/ReactionStoichMgr.h
View file

@ -188,7 +188,7 @@ public:
* only computes 'dg' for the reversible reactions, and the * only computes 'dg' for the reversible reactions, and the
* entries of 'dg' for the irreversible reactions are * entries of 'dg' for the irreversible reactions are
* unaltered. This is primarily designed for use in * unaltered. This is primarily designed for use in
* calculating reveerse rate coefficients from thermochemistry * calculating reverse rate coefficients from thermochemistry
* for reversible reactions. * for reversible reactions.
*/ */
virtual void getRevReactionDelta(size_t nr, const doublereal* g, doublereal* dg); virtual void getRevReactionDelta(size_t nr, const doublereal* g, doublereal* dg);

2
include/cantera/numerics/NonlinearSolver.h
View file

@ -557,7 +557,7 @@ public:
* effect of ensuring that all delta variables will have the same order of magnitude at convergence * effect of ensuring that all delta variables will have the same order of magnitude at convergence
* end. * end.
* *
* The second way is the explicity set the column factors in the second argument of this function call. * The second way is the explicitly set the column factors in the second argument of this function call.
* *
* The final way to input the scales is to override the ResidJacEval member function call, * The final way to input the scales is to override the ResidJacEval member function call,
* *

2
include/cantera/thermo/IdealGasPhase.h
View file

@ -917,7 +917,7 @@ protected:
//! Number of Elements in the phase //! Number of Elements in the phase
/*! /*!
* This member is defined here, from a call to the Elements ojbect, for speed. * This member is defined here, from a call to the Elements object, for speed.
*/ */
size_t m_mm; size_t m_mm;

2
include/cantera/thermo/IdealSolidSolnPhase.h
View file

@ -424,7 +424,7 @@ public:
* concentration divided by the standard concentration is also * concentration divided by the standard concentration is also
* equal to the activity of species. * equal to the activity of species.
* *
* For this implentation the activity is defined to be the * For this implementation the activity is defined to be the
* mole fraction of the species. The generalized concentration * mole fraction of the species. The generalized concentration
* is defined to be equal to the mole fraction divided by * is defined to be equal to the mole fraction divided by
* the partial molar volume. The generalized concentrations * the partial molar volume. The generalized concentrations

2
include/cantera/thermo/LatticePhase.h
View file

@ -974,7 +974,7 @@ protected:
mutable vector_fp m_s0_R; mutable vector_fp m_s0_R;
//! String name for the species which represents a vacency //! String name for the species which represents a vacancy
//! in the lattice //! in the lattice
/*! /*!
* This string is currently unused * This string is currently unused

4
include/cantera/thermo/LatticeSolidPhase.h
View file

@ -638,7 +638,7 @@ public:
/*! /*!
* *
* @param n Integer value of the lattice whose mole fractions are being set * @param n Integer value of the lattice whose mole fractions are being set
* @param x string comtaining Name:value pairs that will specify the mole fractions * @param x string containing Name:value pairs that will specify the mole fractions
* of species on a particular lattice * of species on a particular lattice
*/ */
void setLatticeMoleFractionsByName(int n, std::string x); void setLatticeMoleFractionsByName(int n, std::string x);
@ -648,7 +648,7 @@ public:
/*! /*!
* This routine returns the calculation manager for the sublattice * This routine returns the calculation manager for the sublattice
* *
* @param k Speices id. The default is -1, meaning return the default * @param k Species id. The default is -1, meaning return the default
* *
* @internal * @internal
*/ */

4
include/cantera/thermo/RedlichKwongMFTP.h
View file

@ -642,7 +642,7 @@ public:
* *
* *
* @return We return the density of the fluid at the requested phase. If we have not found any * @return We return the density of the fluid at the requested phase. If we have not found any
* acceptable density we return a -1. If we have found an accectable density at a * acceptable density we return a -1. If we have found an acceptable density at a
* different phase, we return a -2. * different phase, we return a -2.
*/ */
virtual doublereal densityCalc(doublereal TKelvin, doublereal pressure, int phase, doublereal rhoguess); virtual doublereal densityCalc(doublereal TKelvin, doublereal pressure, int phase, doublereal rhoguess);
@ -743,7 +743,7 @@ protected:
//! boolean indicating whether standard mixing rules are applied //! boolean indicating whether standard mixing rules are applied
/*! /*!
* - 1 = Yes, there are standard cross terms in the a coefficient matrices. * - 1 = Yes, there are standard cross terms in the a coefficient matrices.
* - 0 = No, there are nonstaandard cross terms in the a coefficient matrices. * - 0 = No, there are nonstandard cross terms in the a coefficient matrices.
*/ */
int m_standardMixingRules; int m_standardMixingRules;

2
include/cantera/thermo/ThermoPhase.h
View file

@ -1355,7 +1355,7 @@ public:
//! for species reference-state thermodynamic properties //! for species reference-state thermodynamic properties
/*! /*!
* *
* @param k Speices id. The default is -1, meaning return the default * @param k Species id. The default is -1, meaning return the default
* *
* @internal * @internal
*/ */

4
include/cantera/transport/LiquidTransport.h
View file

@ -323,7 +323,7 @@ public:
//! Return the thermal diffusion coefficients //! Return the thermal diffusion coefficients
/*! /*!
* These are all zero for this simple implementaion * These are all zero for this simple implementation
* *
* @param dt thermal diffusion coefficients * @param dt thermal diffusion coefficients
*/ */
@ -334,7 +334,7 @@ public:
* The thermal conductivity calculation is handled by subclasses of * The thermal conductivity calculation is handled by subclasses of
* LiquidTranInteraction as specified in the input file. * LiquidTranInteraction as specified in the input file.
* These in turn employ subclasses of LTPspecies to * These in turn employ subclasses of LTPspecies to
* determine the individual species thermal condictivities. * determine the individual species thermal conductivities.
*/ */
virtual doublereal thermalConductivity(); virtual doublereal thermalConductivity();

2
include/cantera/transport/SimpleTransport.h
View file

@ -317,7 +317,7 @@ public:
//! Return the thermal diffusion coefficients //! Return the thermal diffusion coefficients
/*! /*!
* These are all zero for this simple implementaion * These are all zero for this simple implementation
* *
* @param dt thermal diffusion coefficients * @param dt thermal diffusion coefficients
*/ */

5
src/apps/csvdiff.cpp
View file

@ -189,8 +189,7 @@ static double calc_rdiff(double d1, double d2, double rtol, double atol)
* characters. * characters.
* *
* Argument: * Argument:
* str => original string. On exit, this string will have beent * str => original string. On exit, this string will have been altered.
* altered.
* strlets -> Vector of pointers to char *. The vector has a size * strlets -> Vector of pointers to char *. The vector has a size
* larger than or equal to maxPieces. * larger than or equal to maxPieces.
* maxPieces -> largest number of pieces to divide the string into. * maxPieces -> largest number of pieces to divide the string into.
@ -243,7 +242,7 @@ static int breakStrCommas(char* str, char** strlets, int maxPieces)
* nTitleLines = Number of title lines * nTitleLines = Number of title lines
* nColTitleLines = Number of column title lines * nColTitleLines = Number of column title lines
* nCol = Number of columns -> basically equal to the * nCol = Number of columns -> basically equal to the
* number of variabless * number of variables
* nDataRows = Number of rows of data in the file * nDataRows = Number of rows of data in the file
* *
*/ */

18
src/base/ctml.cpp
View file

@ -307,7 +307,7 @@ XML_Node* getByTitle(const Cantera::XML_Node& node, const std::string& title)
* Code snippet: * Code snippet:
* @verbatim * @verbatim
const XML_Node &parent; const XML_Node &parent;
string name = "vacency_species"; string name = "vacancy_species";
string valueString = getChildValue(parent, name string valueString = getChildValue(parent, name
std::string typeString); std::string typeString);
@endverbatim @endverbatim
@ -317,9 +317,9 @@ XML_Node* getByTitle(const Cantera::XML_Node& node, const std::string& title)
* from the following the snippet in the XML file: * from the following the snippet in the XML file:
* *
* @verbatim * @verbatim
<vacencySpecies> <vacancySpecies>
O(V) O(V)
<\vancencySpecies> <\vacancySpecies>
@endverbatim @endverbatim
* *
* @param parent parent reference to the XML_Node object of the parent XML element * @param parent parent reference to the XML_Node object of the parent XML element
@ -579,7 +579,7 @@ doublereal getFloatCurrent(const Cantera::XML_Node& node,
+vmax+".\n"); +vmax+".\n");
} }
} }
// Note, most type's of converters default to toSI() type atm. // Note, most types of converters default to toSI() type atm.
// This may change and become more specific in the future. // This may change and become more specific in the future.
if (type == "actEnergy" && units != "") { if (type == "actEnergy" && units != "") {
fctr = actEnergyToSI(units); fctr = actEnergyToSI(units);
@ -595,7 +595,7 @@ doublereal getFloatCurrent(const Cantera::XML_Node& node,
fctr = toSI(units); fctr = toSI(units);
#ifdef DEBUG_MODE #ifdef DEBUG_MODE
writelog("\nWarning: conversion toSI() was done on node value " + node.name() + writelog("\nWarning: conversion toSI() was done on node value " + node.name() +
"but wasn't explicity requested. Type was \"" + type + "\"\n"); "but wasn't explicitly requested. Type was \"" + type + "\"\n");
#endif #endif
} }
// Note, below currently produces a lot of output due to transport blocks. // Note, below currently produces a lot of output due to transport blocks.
@ -911,7 +911,7 @@ size_t getFloatArray(const Cantera::XML_Node& node, std::vector<doublereal> & v,
* item in the value text. This was allowed in * item in the value text. This was allowed in
* previous versions of Cantera, even though it * previous versions of Cantera, even though it
* would appear to be odd. So, we keep the * would appear to be odd. So, we keep the
* possibilty in for backwards compatibility. * possibility in for backwards compatibility.
*/ */
if (!val.empty()) { if (!val.empty()) {
dtmp = atofCheck(val.c_str()); dtmp = atofCheck(val.c_str());
@ -978,7 +978,7 @@ void getMap(const Cantera::XML_Node& node, std::map<std::string, std::string>& m
// This function interprets the value portion of an XML element // This function interprets the value portion of an XML element
// as a series of "Pairs" separated by white space. // as a series of "Pairs" separated by white space.
/* /*
* Each pair consists of nonwhite-space characters. * Each pair consists of non-whitespace characters.
* The first ":" found in the pair string is used to separate * The first ":" found in the pair string is used to separate
* the string into two parts. The first part is called the "key" * the string into two parts. The first part is called the "key"
* The second part is called the "val". * The second part is called the "val".
@ -1029,7 +1029,7 @@ int getPairs(const Cantera::XML_Node& node, std::vector<std::string>& key,
// This function interprets the value portion of an XML element // This function interprets the value portion of an XML element
// as a series of "Matrix ids and entries" separated by white space. // as a series of "Matrix ids and entries" separated by white space.
/* /*
* Each pair consists of nonwhite-space characters. * Each pair consists of non-whitespace characters.
* The first two ":" found in the pair string is used to separate * The first two ":" found in the pair string is used to separate
* the string into three parts. The first part is called the first * the string into three parts. The first part is called the first
* key. The second part is the second key. Both parts must match * key. The second part is the second key. Both parts must match
@ -1060,7 +1060,7 @@ int getPairs(const Cantera::XML_Node& node, std::vector<std::string>& key,
* @param keyStringCol Key string for the column entries * @param keyStringCol Key string for the column entries
* @param returnValues Return Matrix. * @param returnValues Return Matrix.
* @param convert If this is true, and if the node has a units * @param convert If this is true, and if the node has a units
* attribute, then conversion to si units is carried * attribute, then conversion to SI units is carried
* out. Default is true. * out. Default is true.
* @param matrixSymmetric If true entries are made so that the matrix * @param matrixSymmetric If true entries are made so that the matrix
* is always symmetric. Default is false. * is always symmetric. Default is false.

6
src/equil/BasisOptimize.cpp
View file

@ -388,7 +388,7 @@ L_END_LOOP:
* However, this might not be the case. For example, assume * However, this might not be the case. For example, assume
* that the first element in FormulaMatrix[] is argon. Assume that * that the first element in FormulaMatrix[] is argon. Assume that
* no species in the matrix problem actually includes argon. * no species in the matrix problem actually includes argon.
* Then, the first row in sm[], below will be indentically * Then, the first row in sm[], below will be identically
* zero. bleh. * zero. bleh.
* What needs to be done is to perform a rearrangement * What needs to be done is to perform a rearrangement
* of the ELEMENTS -> i.e. rearrange, FormulaMatrix, sp, and gai, such * of the ELEMENTS -> i.e. rearrange, FormulaMatrix, sp, and gai, such
@ -397,7 +397,7 @@ L_END_LOOP:
* project, but very doable. * project, but very doable.
* An alternative would be to turn the matrix problem * An alternative would be to turn the matrix problem
* below into an ne x nc problem, and do QR elimination instead * below into an ne x nc problem, and do QR elimination instead
* of Gauss-Jordon elimination. * of Gauss-Jordan elimination.
* Note the rearrangement of elements need only be done once * Note the rearrangement of elements need only be done once
* in the problem. It's actually very similar to the top of * in the problem. It's actually very similar to the top of
* this program with ne being the species and nc being the * this program with ne being the species and nc being the
@ -420,7 +420,7 @@ L_END_LOOP:
} }
} }
/* /*
* Use Gauss-Jordon block elimination to calculate * Use Gauss-Jordan block elimination to calculate
* the reaction matrix * the reaction matrix
*/ */
int ierr = mlequ(DATA_PTR(sm), ne, nComponents, DATA_PTR(formRxnMatrix), nNonComponents); int ierr = mlequ(DATA_PTR(sm), ne, nComponents, DATA_PTR(formRxnMatrix), nNonComponents);

2
src/equil/ChemEquil.cpp
View file

@ -1568,7 +1568,7 @@ int ChemEquil::estimateEP_Brinkley(thermo_t& s, vector_fp& x,
* its stability properties, i.e., it heads in the right direction, * its stability properties, i.e., it heads in the right direction,
* albeit with lousy convergence rates. * albeit with lousy convergence rates.
* *
* NOTE: This probably should be extended to a full blown Gauss-Jordon * NOTE: This probably should be extended to a full blown Gauss-Jordan
* factorization scheme in the future. For Example * factorization scheme in the future. For Example
* the scheme below would fail for the set: HCl NH4Cl, NH3. * the scheme below would fail for the set: HCl NH4Cl, NH3.
* Hopefully, it's caught by the equal rows logic below. * Hopefully, it's caught by the equal rows logic below.

4
src/equil/vcs_MultiPhaseEquil.cpp
View file

@ -656,7 +656,7 @@ int vcs_MultiPhaseEquil::equilibrate_TP(int estimateEquil,
* Transfer the information back to the MultiPhase object. * Transfer the information back to the MultiPhase object.
* Note we don't just call setMoles, because some multispecies * Note we don't just call setMoles, because some multispecies
* solution phases may be zeroed out, and that would cause a problem * solution phases may be zeroed out, and that would cause a problem
* for that routine. Also, the mole fractions of such zereod out * for that routine. Also, the mole fractions of such zeroed out
* phases actually contain information about likely reemergent * phases actually contain information about likely reemergent
* states. * states.
*/ */
@ -1586,7 +1586,7 @@ int vcs_MultiPhaseEquil::determine_PhaseStability(int iph, double& funcStab, int
* Transfer the information back to the MultiPhase object. * Transfer the information back to the MultiPhase object.
* Note we don't just call setMoles, because some multispecies * Note we don't just call setMoles, because some multispecies
* solution phases may be zeroed out, and that would cause a problem * solution phases may be zeroed out, and that would cause a problem
* for that routine. Also, the mole fractions of such zereod out * for that routine. Also, the mole fractions of such zeroed out
* phases actually contain information about likely reemergent * phases actually contain information about likely reemergent
* states. * states.
*/ */

4
src/equil/vcs_elem.cpp
View file

@ -115,7 +115,7 @@ bool VCS_SOLVE::vcs_elabcheck(int ibound)
} else { } else {
/* /*
* For normal element balances, we require absolute compliance * For normal element balances, we require absolute compliance
* even for rediculously small numbers. * even for ridiculously small numbers.
*/ */
if (m_elType[i] == VCS_ELEM_TYPE_ABSPOS) { if (m_elType[i] == VCS_ELEM_TYPE_ABSPOS) {
return false; return false;
@ -168,7 +168,7 @@ int VCS_SOLVE::vcs_elcorr(double aa[], double x[])
* vcs_elcorr: * vcs_elcorr:
* *
* This subroutine corrects for element abundances. At the end of the * This subroutine corrects for element abundances. At the end of the
* surbroutine, the total moles in all phases are recalculated again, * subroutine, the total moles in all phases are recalculated again,
* because we have changed the number of moles in this routine. * because we have changed the number of moles in this routine.
* *
* Input * Input

2
src/equil/vcs_phaseStability.cpp
View file

@ -192,7 +192,7 @@ int VCS_SOLVE::vcs_phasePopDeterminePossibleList()
} }
/* /*
* This is a vector over each zeroed phase * This is a vector over each zeroed phase
* For zeroed phases, it lists the components, which are currently zereoed, * For zeroed phases, it lists the components, which are currently zeroed,
* which have a species with a negative stoichiometric value wrt one or more species in the phase. * which have a species with a negative stoichiometric value wrt one or more species in the phase.
* Cut out components which have a pos stoichiometric value with another species in the phase. * Cut out components which have a pos stoichiometric value with another species in the phase.
*/ */

34
src/equil/vcs_solve_TP.cpp
View file

@ -75,7 +75,7 @@ void VCS_SOLVE::checkDelta1(double* const dsLocal,
// Main routine that solves for equilibrium at constant T and P // Main routine that solves for equilibrium at constant T and P
// using a variant of the VCS method // using a variant of the VCS method
/* /*
* This is the main routine taht solves for equilibrium at constant T and P * This is the main routine that solves for equilibrium at constant T and P
* using a variant of the VCS method. Nonideal phases can be accommodated * using a variant of the VCS method. Nonideal phases can be accommodated
* as well. * as well.
* *
@ -360,7 +360,7 @@ L_MAINLOOP_ALL_SPECIES:
; ;
if (iti == 0) { if (iti == 0) {
/* /*
* Evaluate the minor non-componenent species chemical * Evaluate the minor non-component species chemical
* potentials and delta G for their formation reactions * potentials and delta G for their formation reactions
* We have already evaluated the major non-components * We have already evaluated the major non-components
*/ */
@ -811,7 +811,7 @@ L_MAINLOOP_ALL_SPECIES:
* Set the initial step size, dx, equal to the value produced * Set the initial step size, dx, equal to the value produced
* by the routine, vcs_RxnStepSize(). * by the routine, vcs_RxnStepSize().
* *
* Note the multiplition logic is to make sure that * Note the multiplication logic is to make sure that
* dg[] didn't change sign due to w[] changing in the * dg[] didn't change sign due to w[] changing in the
* middle of the iteration. (it can if a single species * middle of the iteration. (it can if a single species
* phase goes out of existence). * phase goes out of existence).
@ -2449,7 +2449,7 @@ void VCS_SOLVE::vcs_reinsert_deleted(size_t kspec)
} }
/****************************************************************************/ /****************************************************************************/
// This routine handles the bookkeepking involved with the // This routine handles the bookkeeping involved with the
// deletion of multiphase phases from the problem. // deletion of multiphase phases from the problem.
/* /*
* When they are deleted, all of their species become active * When they are deleted, all of their species become active
@ -2905,7 +2905,7 @@ size_t VCS_SOLVE::vcs_add_all_deleted()
* *
* along the current direction m_deltaMolNumSpecies[], by choosing a value, al: (0<al<1) * along the current direction m_deltaMolNumSpecies[], by choosing a value, al: (0<al<1)
* such that the a parabola approximation to Gibbs(al) fit to the * such that the a parabola approximation to Gibbs(al) fit to the
* end points al = 0 and al = 1 is minimizied. * end points al = 0 and al = 1 is minimized.
* s1 = slope of Gibbs function at al = 0, which is the previous * s1 = slope of Gibbs function at al = 0, which is the previous
* solution = d(Gibbs)/d(al). * solution = d(Gibbs)/d(al).
* s2 = slope of Gibbs function at al = 1, which is the current * s2 = slope of Gibbs function at al = 1, which is the current
@ -3381,7 +3381,7 @@ L_END_LOOP:
* However, this might not be the case. For example, assume * However, this might not be the case. For example, assume
* that the first element in m_formulaMatrix[] is argon. Assume that * that the first element in m_formulaMatrix[] is argon. Assume that
* no species in the matrix problem actually includes argon. * no species in the matrix problem actually includes argon.
* Then, the first row in sm[], below will be indentically * Then, the first row in sm[], below will be identically
* zero. bleh. * zero. bleh.
* What needs to be done is to perform a rearrangement * What needs to be done is to perform a rearrangement
* of the ELEMENTS -> i.e. rearrange, m_formulaMatrix, sp, * of the ELEMENTS -> i.e. rearrange, m_formulaMatrix, sp,
@ -3391,7 +3391,7 @@ L_END_LOOP:
* project, but very doable. * project, but very doable.
* An alternative would be to turn the matrix problem * An alternative would be to turn the matrix problem
* below into an ne x nc problem, and do QR elimination instead * below into an ne x nc problem, and do QR elimination instead
* of Gauss-Jordon elimination. * of Gauss-Jordan elimination.
* Note the rearrangement of elements need only be done once * Note the rearrangement of elements need only be done once
* in the problem. It's actually very similar to the top of * in the problem. It's actually very similar to the top of
* this program with ne being the species and nc being the * this program with ne being the species and nc being the
@ -3409,7 +3409,7 @@ L_END_LOOP:
} }
} }
/* /*
* Use Gauss-Jordon block elimination to calculate * Use Gauss-Jordan block elimination to calculate
* the reaction matrix, m_stoichCoeffRxnMatrix[][]. * the reaction matrix, m_stoichCoeffRxnMatrix[][].
*/ */
@ -3636,11 +3636,11 @@ L_CLEANUP:
* *
* Mole numbers are frequently equal to each other in equilibrium problems * Mole numbers are frequently equal to each other in equilibrium problems
* due to constraints. Swaps are only done if there are a 1% difference in the * due to constraints. Swaps are only done if there are a 1% difference in the
* mole numbers. Of course this logic isn't fullproof. * mole numbers. Of course this logic isn't foolproof.
* *
* @param molNum Mole number vector * @param molNum Mole number vector
* @param j index into molNum[] that indicates where the search will start from * @param j index into molNum[] that indicates where the search will start from
* Previous successful components are swapped into the fronto of * Previous successful components are swapped into the front of
* molNum[]. * molNum[].
* @param n Length of molNum[] * @param n Length of molNum[]
*/ */
@ -4697,8 +4697,8 @@ void VCS_SOLVE::vcs_updateVP(const int vcsState)
* Its concentration is currently zero. * Its concentration is currently zero.
* - VCS_SPECIES_ZEROEDMS * - VCS_SPECIES_ZEROEDMS
* -3 -> Species lies in a single-species phase which * -3 -> Species lies in a single-species phase which
* is currently zereod out. * is currently zeroed out.
* - VCS_SPECIES_ZEREODSS * - VCS_SPECIES_ZEROEDSS
* -4 -> Species has such a small mole fraction it is * -4 -> Species has such a small mole fraction it is
* deleted even though its phase may possibly exist. * deleted even though its phase may possibly exist.
* The species is believed to have such a small * The species is believed to have such a small
@ -4709,7 +4709,7 @@ void VCS_SOLVE::vcs_updateVP(const int vcsState)
* -5 -> Species refers to an electron in the metal * -5 -> Species refers to an electron in the metal
* The unknown is equal to the interfacial voltage * The unknown is equal to the interfacial voltage
* drop across the interface on the SHE (standard * drop across the interface on the SHE (standard
* hydroogen electrode) scale (volts). * hydrogen electrode) scale (volts).
* - VCS_SPECIES_INTERFACIALVOLTAGE * - VCS_SPECIES_INTERFACIALVOLTAGE
* -6 -> Species lies in a multicomponent phase that * -6 -> Species lies in a multicomponent phase that
* is zeroed atm and will stay deleted due to a * is zeroed atm and will stay deleted due to a
@ -4817,7 +4817,7 @@ bool VCS_SOLVE::vcs_evaluate_speciesType()
} }
/*****************************************************************************/ /*****************************************************************************/
// Switch rows and columns of a sqare matrix // Switch rows and columns of a square matrix
/* /*
* Switches the row and column of a matrix. * Switches the row and column of a matrix.
* So that after * So that after
@ -4825,7 +4825,7 @@ bool VCS_SOLVE::vcs_evaluate_speciesType()
* J[k1][j] = J_old[k2][j] and J[j][k1] = J_old[j][k2] * J[k1][j] = J_old[k2][j] and J[j][k1] = J_old[j][k2]
* J[k2][j] = J_old[k1][j] and J[j][k2] = J_old[j][k1] * J[k2][j] = J_old[k1][j] and J[j][k2] = J_old[j][k1]
* *
* @param Jac Double pointer to the jacobiam * @param Jac Double pointer to the Jacobian
* @param k1 first row/column value to be switched * @param k1 first row/column value to be switched
* @param k2 second row/column value to be switched * @param k2 second row/column value to be switched
*/ */
@ -4928,7 +4928,7 @@ void VCS_SOLVE::vcs_deltag(const int l, const bool doDeleted,
} }
#endif #endif
/* ************************************************* */ /* ************************************************* */
/* **** MAJORS and ZEREOD SPECIES ONLY ************* */ /* **** MAJORS and ZEROED SPECIES ONLY ************* */
/* ************************************************* */ /* ************************************************* */
if (l < 0) { if (l < 0) {
for (irxn = 0; irxn < m_numRxnRdc; ++irxn) { for (irxn = 0; irxn < m_numRxnRdc; ++irxn) {
@ -5221,7 +5221,7 @@ void VCS_SOLVE::vcs_printDeltaG(const int stateCalc)
/* /*
* Calculate deltag of formation for all species in a single * Calculate deltag of formation for all species in a single
* phase. It is assumed that the fe[] is up to date for all species. * phase. It is assumed that the fe[] is up to date for all species.
* Howevever, if the phase is currently zereoed out, a subproblem * However, if the phase is currently zeroed out, a subproblem
* is calculated to solve for AC[i] and pseudo-X[i] for that * is calculated to solve for AC[i] and pseudo-X[i] for that
* phase. * phase.
* *

2
src/kinetics/Kinetics.cpp
View file

@ -201,7 +201,7 @@ void Kinetics::assignShallowPointers(const std::vector<thermo_t*> & tpVector)
//==================================================================================================================== //====================================================================================================================
/** /**
* Takes as input an array of properties for all species in the * Takes as input an array of properties for all species in the
* mechanism and copies those values beloning to a particular * mechanism and copies those values belonging to a particular
* phase to the output array. * phase to the output array.
* @param data Input data array. * @param data Input data array.
* @param phase Pointer to one of the phase objects participating * @param phase Pointer to one of the phase objects participating

2
src/kinetics/KineticsFactory.cpp
View file

@ -40,7 +40,7 @@ static int _itypes[] = {0, cGasKinetics, cGRI30, cInterfaceKinetics, cEdgeKine
* The element has one attribute called "model", * The element has one attribute called "model",
* with a string value. The value of this string * with a string value. The value of this string
* is used to decide which kinetics manager is used * is used to decide which kinetics manager is used
* to calculate the reacton mechanism. * to calculate the reaction mechanism.
* *
* Return * Return
* --------- * ---------

4
src/kinetics/importKinetics.cpp
View file

@ -442,7 +442,7 @@ static void getFalloff(const XML_Node& f, ReactionData& rdata)
} else if (np == 3) { } else if (np == 3) {
rdata.falloffType = TROE3_FALLOFF; rdata.falloffType = TROE3_FALLOFF;
} else { } else {
throw CanteraError("getFalloff()", "Troe parameterization is specified by number of pararameters, " throw CanteraError("getFalloff()", "Troe parameterization is specified by number of parameters, "
+ int2str(np) + ", is not equal to 3 or 4"); + int2str(np) + ", is not equal to 3 or 4");
} }
} else if (type == "SRI") { } else if (type == "SRI") {
@ -460,7 +460,7 @@ static void getFalloff(const XML_Node& f, ReactionData& rdata)
throw CanteraError("getFalloff()", "SRI3 m_c parameter is less than zero: " + fp2str(c[2])); throw CanteraError("getFalloff()", "SRI3 m_c parameter is less than zero: " + fp2str(c[2]));
} }
} else { } else {
throw CanteraError("getFalloff()", "SRI parameterization is specified by number of pararameters, " throw CanteraError("getFalloff()", "SRI parameterization is specified by number of parameters, "
+ int2str(np) + ", is not equal to 3 or 5"); + int2str(np) + ", is not equal to 3 or 5");
} }
} }

2
src/numerics/NonlinearSolver.cpp
View file

@ -653,7 +653,7 @@ doublereal NonlinearSolver::residErrorNorm(const doublereal* const resid, const
* effect of ensuring that all delta variables will have the same order of magnitude at convergence * effect of ensuring that all delta variables will have the same order of magnitude at convergence
* end. * end.
* *
* The second way is the explicity set the column factors in the second argument of this function call. * The second way is the explicitly set the column factors in the second argument of this function call.
* *
* The final way to input the scales is to override the ResidJacEval member function call, * The final way to input the scales is to override the ResidJacEval member function call,
* *

2
src/oneD/OneDim.cpp
View file

@ -136,7 +136,7 @@ void OneDim::writeStats(int printTime)
//============================================================================================================== //==============================================================================================================
/** /**
* Save statistics on function and Jacobiab evaulation, and reset * Save statistics on function and Jacobian evaluation, and reset
* the counters. Statistics are saved only if the number of * the counters. Statistics are saved only if the number of
* Jacobian evaluations is greater than zero. The statistics saved * Jacobian evaluations is greater than zero. The statistics saved
* are * are

4
src/thermo/DebyeHuckel.cpp
View file

@ -1392,7 +1392,7 @@ initThermoXML(XML_Node& phaseNode, std::string id)
* Fill in the vector specifying the electrolyte species * Fill in the vector specifying the electrolyte species
* type * type
* *
* First fill in default values. Everthing is either * First fill in default values. Everything is either
* a charge species, a nonpolar neutral, or the solvent. * a charge species, a nonpolar neutral, or the solvent.
*/ */
for (size_t k = 0; k < m_kk; k++) { for (size_t k = 0; k < m_kk; k++) {
@ -1845,7 +1845,7 @@ void DebyeHuckel::s_update_lnMolalityActCoeff() const
* Debye-Huckel parameter A_Debye * Debye-Huckel parameter A_Debye
* This parameter appears on the top of the activity * This parameter appears on the top of the activity
* coefficient expression. * coefficient expression.
* It depends on T (and P), as it depends explicity * It depends on T (and P), as it depends explicitly
* on the temperature. Also, the dielectric constant * on the temperature. Also, the dielectric constant
* is usually a fairly strong function of T, also. * is usually a fairly strong function of T, also.
*/ */

6
src/thermo/HMWSoln.cpp
View file

@ -1439,7 +1439,7 @@ doublereal HMWSoln::satPressure(doublereal t) const
* *
* where epsilon = e_rel * e_naught * where epsilon = e_rel * e_naught
* *
* Note, this is si units. Frequently, gaussian units are * Note, this is SI units. Frequently, gaussian units are
* used in Pitzer's papers where D is used, D = epsilon/(4 Pi) * used in Pitzer's papers where D is used, D = epsilon/(4 Pi)
* units = A_Debye has units of sqrt(gmol kg-1). * units = A_Debye has units of sqrt(gmol kg-1).
*/ */
@ -1543,7 +1543,7 @@ double HMWSoln::dA_DebyedP_TP(double tempArg, double presArg) const
/* /*
* Calculate the DH Parameter used for the Enthalpy calcalations * Calculate the DH Parameter used for the Enthalpy calculations
* *
* ADebye_L = 4 R T**2 d(Aphi) / dT * ADebye_L = 4 R T**2 d(Aphi) / dT
* *
@ -1565,7 +1565,7 @@ double HMWSoln::ADebye_L(double tempArg, double presArg) const
} }
/* /*
* Calculate the DH Parameter used for the Volume calcalations * Calculate the DH Parameter used for the Volume calculations
* *
* ADebye_V = - 4 R T d(Aphi) / dP * ADebye_V = - 4 R T d(Aphi) / dP
* *

2
src/thermo/HMWSoln_input.cpp
View file

@ -1473,7 +1473,7 @@ initThermoXML(XML_Node& phaseNode, std::string id)
* Fill in the vector specifying the electrolyte species * Fill in the vector specifying the electrolyte species
* type * type
* *
* First fill in default values. Everthing is either * First fill in default values. Everything is either
* a charge species, a nonpolar neutral, or the solvent. * a charge species, a nonpolar neutral, or the solvent.
*/ */
for (size_t k = 0; k < m_kk; k++) { for (size_t k = 0; k < m_kk; k++) {

10
src/thermo/IdealSolidSolnPhase.cpp
View file

@ -427,10 +427,10 @@ void IdealSolidSolnPhase::setConcentrations(const doublereal* const c)
* concentrations. The generalized concentrations are used * concentrations. The generalized concentrations are used
* in the evaluation of the rates of progress for reactions * in the evaluation of the rates of progress for reactions
* involving species in this phase. The generalized * involving species in this phase. The generalized
* concentration dividied by the standard concentration is also * concentration divided by the standard concentration is also
* equal to the activity of species. * equal to the activity of species.
* *
* For this implentation the activity is defined to be the * For this implementation the activity is defined to be the
* mole fraction of the species. The generalized concentration * mole fraction of the species. The generalized concentration
* is defined to be equal to the mole fraction divided by * is defined to be equal to the mole fraction divided by
* the partial molar volume. The generalized concentrations * the partial molar volume. The generalized concentrations
@ -462,7 +462,7 @@ void IdealSolidSolnPhase::setConcentrations(const doublereal* const c)
* state into the thermodynamics functions. Therefore the * state into the thermodynamics functions. Therefore the
* standard state on which the activities are based depend * standard state on which the activities are based depend
* on both temperature and pressure. If we hadn't, it would have * on both temperature and pressure. If we hadn't, it would have
* appeared in this function in a very awkwards exp[] format. * appeared in this function in a very awkward exp[] format.
* *
* @param c[] Pointer to array of doubles of length m_kk, which on exit * @param c[] Pointer to array of doubles of length m_kk, which on exit
* will contain the generalized concentrations. * will contain the generalized concentrations.
@ -1067,7 +1067,7 @@ const vector_fp& IdealSolidSolnPhase::entropy_R_ref() const
/* /*
* initThermo() function initializes the object for use. * initThermo() function initializes the object for use.
* *
* Before its invokation, the class isn't ready for calculation. * Before its invocation, the class isn't ready for calculation.
*/ */
void IdealSolidSolnPhase::initThermo() void IdealSolidSolnPhase::initThermo()
{ {
@ -1203,7 +1203,7 @@ initLengths()
/* /*
* Obtain the reference pressure by calling the ThermoPhase * Obtain the reference pressure by calling the ThermoPhase
* function refPressure, which in turm calls the * function refPressure, which in turn calls the
* species thermo reference pressure function of the * species thermo reference pressure function of the
* same name. * same name.
*/ */

2
src/thermo/LatticeSolidPhase.cpp
View file

@ -672,7 +672,7 @@ void LatticeSolidPhase::setParametersFromXML(const XML_Node& eosdata)
// for species reference-state thermodynamic properties // for species reference-state thermodynamic properties
/* /*
* *
* @param k Speices id. The default is -1, meaning return the default * @param k Species id. The default is -1, meaning return the default
* *
* @internal * @internal
*/ */

2
src/thermo/MineralEQ3.cpp
View file

@ -561,7 +561,7 @@ doublereal MineralEQ3::LookupGe(const std::string& elemName)
doublereal geValue = entropyElement298(iE); doublereal geValue = entropyElement298(iE);
if (geValue == ENTROPY298_UNKNOWN) { if (geValue == ENTROPY298_UNKNOWN) {
throw CanteraError("PDSS_HKFT::LookupGe", throw CanteraError("PDSS_HKFT::LookupGe",
"element " + elemName + " doesn not have a supplied entropy298"); "element " + elemName + " does not have a supplied entropy298");
} }
geValue *= (-298.15); geValue *= (-298.15);
return geValue; return geValue;

4
src/thermo/PDSS_HKFT.cpp
View file

@ -598,7 +598,7 @@ void PDSS_HKFT::initThermo()
doublereal DHjmol = m_deltaH_formation_tr_pr * 1.0E3 * 4.184; doublereal DHjmol = m_deltaH_formation_tr_pr * 1.0E3 * 4.184;
// If the discrepency is greater than 100 cal gmol-1, print // If the discrepancy is greater than 100 cal gmol-1, print
// an error and exit. // an error and exit.
if (fabs(Hcalc -DHjmol) > 100.* 1.0E3 * 4.184) { if (fabs(Hcalc -DHjmol) > 100.* 1.0E3 * 4.184) {
throw CanteraError(" PDSS_HKFT::initThermo()", throw CanteraError(" PDSS_HKFT::initThermo()",
@ -1218,7 +1218,7 @@ doublereal PDSS_HKFT::LookupGe(const std::string& elemName)
doublereal geValue = m_tp->entropyElement298(iE); doublereal geValue = m_tp->entropyElement298(iE);
if (geValue == ENTROPY298_UNKNOWN) { if (geValue == ENTROPY298_UNKNOWN) {
throw CanteraError("PDSS_HKFT::LookupGe", throw CanteraError("PDSS_HKFT::LookupGe",
"element " + elemName + " doesn not have a supplied entropy298"); "element " + elemName + " does not have a supplied entropy298");
} }
geValue *= (-298.15); geValue *= (-298.15);
return geValue; return geValue;

2
src/thermo/RedlichKwongMFTP.cpp
View file

@ -1305,7 +1305,7 @@ doublereal RedlichKwongMFTP::liquidVolEst(doublereal TKelvin, doublereal& presGu
* *
* *
* @return We return the density of the fluid at the requested phase. If we have not found any * @return We return the density of the fluid at the requested phase. If we have not found any
* acceptable density we return a -1. If we have found an accectable density at a * acceptable density we return a -1. If we have found an acceptable density at a
* different phase, we return a -2. * different phase, we return a -2.
*/ */
doublereal RedlichKwongMFTP::densityCalc(doublereal TKelvin, doublereal presPa, int phaseRequested, doublereal rhoguess) doublereal RedlichKwongMFTP::densityCalc(doublereal TKelvin, doublereal presPa, int phaseRequested, doublereal rhoguess)

16
src/thermo/SpeciesThermoFactory.cpp
View file

@ -271,7 +271,7 @@ void NasaThermo::checkContinuity(std::string name, double tmid, const doublereal
* This is called by method installThermoForSpecies if a NASA block is found in the XML input. * This is called by method installThermoForSpecies if a NASA block is found in the XML input.
* *
* @param speciesName String name of the species * @param speciesName String name of the species
* @param sp SpeciesThermo object that will receive the nasa polynomial object * @param sp SpeciesThermo object that will receive the NASA polynomial object
* @param k Species index within the phase * @param k Species index within the phase
* @param f0ptr Ptr to the first XML_Node for the first NASA polynomial * @param f0ptr Ptr to the first XML_Node for the first NASA polynomial
* @param f1ptr Ptr to the first XML_Node for the first NASA polynomial * @param f1ptr Ptr to the first XML_Node for the first NASA polynomial
@ -366,7 +366,7 @@ static doublereal LookupGe(const std::string& elemName, ThermoPhase* th_ptr)
doublereal geValue = th_ptr->entropyElement298(iE); doublereal geValue = th_ptr->entropyElement298(iE);
if (geValue == ENTROPY298_UNKNOWN) { if (geValue == ENTROPY298_UNKNOWN) {
throw CanteraError("PDSS_HKFT::LookupGe", throw CanteraError("PDSS_HKFT::LookupGe",
"element " + elemName + " doesn not have a supplied entropy298"); "element " + elemName + " does not have a supplied entropy298");
} }
geValue *= (-298.15); geValue *= (-298.15);
return geValue; return geValue;
@ -408,7 +408,7 @@ static doublereal convertDGFormation(size_t k, ThermoPhase* th_ptr)
* *
* @param speciesName String name of the species * @param speciesName String name of the species
* @param th_ptr Pointer to the %ThermoPhase object * @param th_ptr Pointer to the %ThermoPhase object
* @param sp SpeciesThermo object that will receive the nasa polynomial object * @param sp SpeciesThermo object that will receive the NASA polynomial object
* @param k Species index within the phase * @param k Species index within the phase
* @param MinEQ3node Ptr to the first XML_Node for the first MinEQ3 parameterization * @param MinEQ3node Ptr to the first XML_Node for the first MinEQ3 parameterization
*/ */
@ -441,7 +441,7 @@ static void installMinEQ3asShomateThermoFromXML(std::string speciesName,
doublereal Hcalc = Mu0_tr_pr + 298.15 * e; doublereal Hcalc = Mu0_tr_pr + 298.15 * e;
doublereal DHjmol = deltaH_formation_pr_tr * 1.0E3 * 4.184; doublereal DHjmol = deltaH_formation_pr_tr * 1.0E3 * 4.184;
// If the discrepency is greater than 100 cal gmol-1, print // If the discrepancy is greater than 100 cal gmol-1, print
// an error and exit. // an error and exit.
if (fabs(Hcalc -DHjmol) > 10.* 1.0E6 * 4.184) { if (fabs(Hcalc -DHjmol) > 10.* 1.0E6 * 4.184) {
throw CanteraError("installMinEQ3asShomateThermoFromXML()", throw CanteraError("installMinEQ3asShomateThermoFromXML()",
@ -494,7 +494,7 @@ static void installMinEQ3asShomateThermoFromXML(std::string speciesName,
* This is called by method installThermoForSpecies if a Shomate block is found in the XML input. * This is called by method installThermoForSpecies if a Shomate block is found in the XML input.
* *
* @param speciesName String name of the species * @param speciesName String name of the species
* @param sp SpeciesThermo object that will receive the nasa polynomial object * @param sp SpeciesThermo object that will receive the NASA polynomial object
* @param k Species index within the phase * @param k Species index within the phase
* @param f0ptr Ptr to the first XML_Node for the first NASA polynomial * @param f0ptr Ptr to the first XML_Node for the first NASA polynomial
* @param f1ptr Ptr to the first XML_Node for the first NASA polynomial * @param f1ptr Ptr to the first XML_Node for the first NASA polynomial
@ -561,7 +561,7 @@ static void installShomateThermoFromXML(std::string speciesName, SpeciesThermo&
* This is called by method installThermoForSpecies if a SimpleThermo block is found * This is called by method installThermoForSpecies if a SimpleThermo block is found
* *
* @param speciesName String name of the species * @param speciesName String name of the species
* @param sp SpeciesThermo object that will receive the nasa polynomial object * @param sp SpeciesThermo object that will receive the NASA polynomial object
* @param k Species index within the phase * @param k Species index within the phase
* @param f XML_Node for the SimpleThermo block * @param f XML_Node for the SimpleThermo block
*/ */
@ -591,7 +591,7 @@ static void installSimpleThermoFromXML(std::string speciesName,
* This is called by method installThermoForSpecies if a NASA9 block is found in the XML input. * This is called by method installThermoForSpecies if a NASA9 block is found in the XML input.
* *
* @param speciesName String name of the species * @param speciesName String name of the species
* @param sp SpeciesThermo object that will receive the nasa polynomial object * @param sp SpeciesThermo object that will receive the NASA polynomial object
* @param k Species index within the phase * @param k Species index within the phase
* @param tp Vector of XML Nodes that make up the parameterization * @param tp Vector of XML Nodes that make up the parameterization
*/ */
@ -698,7 +698,7 @@ static void installStatMechThermoFromXML(std::string speciesName,
* This is called by method installThermoForSpecies if a Adsorbate block is found in the XML input. * This is called by method installThermoForSpecies if a Adsorbate block is found in the XML input.
* *
* @param speciesName String name of the species * @param speciesName String name of the species
* @param sp SpeciesThermo object that will receive the nasa polynomial object * @param sp SpeciesThermo object that will receive the NASA polynomial object
* @param k Species index within the phase * @param k Species index within the phase
* @param f XML Node that contains the parameterization * @param f XML Node that contains the parameterization
*/ */

2
src/thermo/ThermoPhase.cpp
View file

@ -898,7 +898,7 @@ void ThermoPhase::setSpeciesThermo(SpeciesThermo* spthermo)
// for species reference-state thermodynamic properties // for species reference-state thermodynamic properties
/* /*
* *
* @param k Speices id. The default is -1, meaning return the default * @param k Species id. The default is -1, meaning return the default
* *
* @internal * @internal
*/ */

4
src/thermo/VPSSMgrFactory.cpp
View file

@ -52,8 +52,8 @@ mutex_t VPSSMgrFactory::vpss_species_thermo_mutex;
* *
* @param spDataNodeList Species Data XML node. This node contains a list * @param spDataNodeList Species Data XML node. This node contains a list
* of species XML nodes underneath it. * of species XML nodes underneath it.
* @param has_nasa_idealGas Boolean indicating that one species has a nasa ideal gas standard state * @param has_nasa_idealGas Boolean indicating that one species has a NASA ideal gas standard state
* @param has_nasa_constVol Boolean indicating that one species has a nasa ideal solution standard state * @param has_nasa_constVol Boolean indicating that one species has a NASA ideal solution standard state
* @param has_shomate_idealGas Boolean indicating that one species has a shomate ideal gas standard state * @param has_shomate_idealGas Boolean indicating that one species has a shomate ideal gas standard state
* @param has_shomate_constVol Boolean indicating that one species has a shomate ideal solution standard state * @param has_shomate_constVol Boolean indicating that one species has a shomate ideal solution standard state
* @param has_simple_idealGas Boolean indicating that one species has a simple ideal gas standard state * @param has_simple_idealGas Boolean indicating that one species has a simple ideal gas standard state

6
src/transport/LiquidTransport.cpp
View file

@ -704,7 +704,7 @@ void LiquidTransport::getSpeciesHydrodynamicRadius(doublereal* const radius)
* The thermal conductivity calculation is handled by subclasses of * The thermal conductivity calculation is handled by subclasses of
* LiquidTranInteraction as specified in the input file. * LiquidTranInteraction as specified in the input file.
* These in turn employ subclasses of LTPspecies to * These in turn employ subclasses of LTPspecies to
* determine the individual species thermal condictivities. * determine the individual species thermal conductivities.
*/ */
doublereal LiquidTransport::thermalConductivity() doublereal LiquidTransport::thermalConductivity()
{ {
@ -725,7 +725,7 @@ doublereal LiquidTransport::thermalConductivity()
// Return the thermal diffusion coefficients // Return the thermal diffusion coefficients
/* /*
* These are all zero for this simple implementaion * These are all zero for this simple implementation
* *
* @param dt thermal diffusion coefficients * @param dt thermal diffusion coefficients
*/ */
@ -1642,7 +1642,7 @@ void LiquidTransport::stefan_maxwell_solve()
* the molar based values. This may change. * the molar based values. This may change.
* *
* Note, we have broken the symmetry of the matrix here, due to * Note, we have broken the symmetry of the matrix here, due to
* consideratins involving species concentrations going to zero. * considerations involving species concentrations going to zero.
* *
*/ */
for (size_t i = 0; i < m_nsp; i++) { for (size_t i = 0; i < m_nsp; i++) {

18
test_problems/VCSnonideal/NaCl_equil/HMW_NaCl.xml
View file

@ -117,11 +117,11 @@
<species name="Na+"> <species name="Na+">
<!-- Na+ (aq) standard state based on the unity molality convention <!-- Na+ (aq) standard state based on the unity molality convention
The shomate polynomial was created from the SUPCRT92 The shomate polynomial was created from the SUPCRT92
J. Phys Chem Ref article, and the codata recommended J. Phys Chem Ref article, and the CODATA recommended
values. DelHf(298.15) = -240.34 kJ/gmol values. DelHf(298.15) = -240.34 kJ/gmol
S(298.15) = 58.45 J/gmolK S(298.15) = 58.45 J/gmolK
There was a slight discrepency between those two, which was There was a slight discrepancy between those two, which was
resolved in favor of codata. resolved in favor of CODATA.
Notes: the order of the polynomials can be decreased by Notes: the order of the polynomials can be decreased by
dropping terms from the complete Shomate poly. dropping terms from the complete Shomate poly.
--> -->
@ -150,11 +150,11 @@
<species name="Cl-"> <species name="Cl-">
<!-- Cl- (aq) standard state based on the unity molality convention <!-- Cl- (aq) standard state based on the unity molality convention
The shomate polynomial was created from the SUPCRT92 The shomate polynomial was created from the SUPCRT92
J. Phys Chem Ref article, and the codata recommended J. Phys Chem Ref article, and the CODATA recommended
values. DelHf(298.15) = -167.08 kJ/gmol values. DelHf(298.15) = -167.08 kJ/gmol
S(298.15) = 56.60 J/gmolK S(298.15) = 56.60 J/gmolK
There was a slight discrepency between those two, which was There was a slight discrepancy between those two, which was
resolved in favor of codata. resolved in favor of CODATA.
Notes: the order of the polynomials can be decreased by Notes: the order of the polynomials can be decreased by
dropping terms from the complete Shomate poly. dropping terms from the complete Shomate poly.
--> -->
@ -207,11 +207,11 @@
<species name="OH-"> <species name="OH-">
<!-- OH- (aq) standard state based on the unity molality convention <!-- OH- (aq) standard state based on the unity molality convention
The shomate polynomial was created with data from the SUPCRT92 The shomate polynomial was created with data from the SUPCRT92
J. Phys Chem Ref article, and from the codata recommended J. Phys Chem Ref article, and from the CODATA recommended
values. DelHf(298.15) = -230.015 kJ/gmol values. DelHf(298.15) = -230.015 kJ/gmol
S(298.15) = -10.90 J/gmolK S(298.15) = -10.90 J/gmolK
There was a slight discrepency between those two, which was There was a slight discrepancy between those two, which was
resolved in favor of codata. resolved in favor of CODATA.
Notes: the order of the polynomials can be decreased by Notes: the order of the polynomials can be decreased by
dropping terms from the complete Shomate poly. dropping terms from the complete Shomate poly.
--> -->

12
test_problems/cathermo/HMW_dupl_test/HMW_NaCl_sp1977_alt.xml
View file

@ -150,11 +150,11 @@
<species name="Cl-"> <species name="Cl-">
<!-- Cl- (aq) standard state based on the unity molality convention <!-- Cl- (aq) standard state based on the unity molality convention
The shomate polynomial was created from the SUPCRT92 The shomate polynomial was created from the SUPCRT92
J. Phys Chem Ref article, and the codata recommended J. Phys Chem Ref article, and the CODATA recommended
values. DelHf(298.15) = -167.08 kJ/gmol values. DelHf(298.15) = -167.08 kJ/gmol
S(298.15) = 56.60 J/gmolK S(298.15) = 56.60 J/gmolK
There was a slight discrepency between those two, which was There was a slight discrepancy between those two, which was
resolved in favor of codata. resolved in favor of CODATA.
Notes: the order of the polynomials can be decreased by Notes: the order of the polynomials can be decreased by
dropping terms from the complete Shomate poly. dropping terms from the complete Shomate poly.
--> -->
@ -207,11 +207,11 @@
<species name="OH-"> <species name="OH-">
<!-- OH- (aq) standard state based on the unity molality convention <!-- OH- (aq) standard state based on the unity molality convention
The shomate polynomial was created with data from the SUPCRT92 The shomate polynomial was created with data from the SUPCRT92
J. Phys Chem Ref article, and from the codata recommended J. Phys Chem Ref article, and from the CODATA recommended
values. DelHf(298.15) = -230.015 kJ/gmol values. DelHf(298.15) = -230.015 kJ/gmol
S(298.15) = -10.90 J/gmolK S(298.15) = -10.90 J/gmolK
There was a slight discrepency between those two, which was There was a slight discrepancy between those two, which was
resolved in favor of codata. resolved in favor of CODATA.
Notes: the order of the polynomials can be decreased by Notes: the order of the polynomials can be decreased by
dropping terms from the complete Shomate poly. dropping terms from the complete Shomate poly.
--> -->

12
test_problems/cathermo/HMW_graph_CpvT/HMW_NaCl_sp1977_alt.xml
View file

@ -150,11 +150,11 @@
<species name="Cl-"> <species name="Cl-">
<!-- Cl- (aq) standard state based on the unity molality convention <!-- Cl- (aq) standard state based on the unity molality convention
The shomate polynomial was created from the SUPCRT92 The shomate polynomial was created from the SUPCRT92
J. Phys Chem Ref article, and the codata recommended J. Phys Chem Ref article, and the CODATA recommended
values. DelHf(298.15) = -167.08 kJ/gmol values. DelHf(298.15) = -167.08 kJ/gmol
S(298.15) = 56.60 J/gmolK S(298.15) = 56.60 J/gmolK
There was a slight discrepency between those two, which was There was a slight discrepancy between those two, which was
resolved in favor of codata. resolved in favor of CODATA.
Notes: the order of the polynomials can be decreased by Notes: the order of the polynomials can be decreased by
dropping terms from the complete Shomate poly. dropping terms from the complete Shomate poly.
--> -->
@ -207,11 +207,11 @@
<species name="OH-"> <species name="OH-">
<!-- OH- (aq) standard state based on the unity molality convention <!-- OH- (aq) standard state based on the unity molality convention
The shomate polynomial was created with data from the SUPCRT92 The shomate polynomial was created with data from the SUPCRT92
J. Phys Chem Ref article, and from the codata recommended J. Phys Chem Ref article, and from the CODATA recommended
values. DelHf(298.15) = -230.015 kJ/gmol values. DelHf(298.15) = -230.015 kJ/gmol
S(298.15) = -10.90 J/gmolK S(298.15) = -10.90 J/gmolK
There was a slight discrepency between those two, which was There was a slight discrepancy between those two, which was
resolved in favor of codata. resolved in favor of CODATA.
Notes: the order of the polynomials can be decreased by Notes: the order of the polynomials can be decreased by
dropping terms from the complete Shomate poly. dropping terms from the complete Shomate poly.
--> -->

18
test_problems/cathermo/HMW_graph_GvI/HMW_NaCl.xml
View file

@ -117,11 +117,11 @@
<species name="Na+"> <species name="Na+">
<!-- Na+ (aq) standard state based on the unity molality convention <!-- Na+ (aq) standard state based on the unity molality convention
The shomate polynomial was created from the SUPCRT92 The shomate polynomial was created from the SUPCRT92
J. Phys Chem Ref article, and the codata recommended J. Phys Chem Ref article, and the CODATA recommended
values. DelHf(298.15) = -240.34 kJ/gmol values. DelHf(298.15) = -240.34 kJ/gmol
S(298.15) = 58.45 J/gmolK S(298.15) = 58.45 J/gmolK
There was a slight discrepency between those two, which was There was a slight discrepancy between those two, which was
resolved in favor of codata. resolved in favor of CODATA.
Notes: the order of the polynomials can be decreased by Notes: the order of the polynomials can be decreased by
dropping terms from the complete Shomate poly. dropping terms from the complete Shomate poly.
--> -->
@ -150,11 +150,11 @@
<species name="Cl-"> <species name="Cl-">
<!-- Cl- (aq) standard state based on the unity molality convention <!-- Cl- (aq) standard state based on the unity molality convention
The shomate polynomial was created from the SUPCRT92 The shomate polynomial was created from the SUPCRT92
J. Phys Chem Ref article, and the codata recommended J. Phys Chem Ref article, and the CODATA recommended
values. DelHf(298.15) = -167.08 kJ/gmol values. DelHf(298.15) = -167.08 kJ/gmol
S(298.15) = 56.60 J/gmolK S(298.15) = 56.60 J/gmolK
There was a slight discrepency between those two, which was There was a slight discrepancy between those two, which was
resolved in favor of codata. resolved in favor of CODATA.
Notes: the order of the polynomials can be decreased by Notes: the order of the polynomials can be decreased by
dropping terms from the complete Shomate poly. dropping terms from the complete Shomate poly.
--> -->
@ -207,11 +207,11 @@
<species name="OH-"> <species name="OH-">
<!-- OH- (aq) standard state based on the unity molality convention <!-- OH- (aq) standard state based on the unity molality convention
The shomate polynomial was created with data from the SUPCRT92 The shomate polynomial was created with data from the SUPCRT92
J. Phys Chem Ref article, and from the codata recommended J. Phys Chem Ref article, and from the CODATA recommended
values. DelHf(298.15) = -230.015 kJ/gmol values. DelHf(298.15) = -230.015 kJ/gmol
S(298.15) = -10.90 J/gmolK S(298.15) = -10.90 J/gmolK
There was a slight discrepency between those two, which was There was a slight discrepancy between those two, which was
resolved in favor of codata. resolved in favor of CODATA.
Notes: the order of the polynomials can be decreased by Notes: the order of the polynomials can be decreased by
dropping terms from the complete Shomate poly. dropping terms from the complete Shomate poly.
--> -->

12
test_problems/cathermo/HMW_graph_GvT/HMW_NaCl_sp1977_alt.xml
View file

@ -150,11 +150,11 @@
<species name="Cl-"> <species name="Cl-">
<!-- Cl- (aq) standard state based on the unity molality convention <!-- Cl- (aq) standard state based on the unity molality convention
The shomate polynomial was created from the SUPCRT92 The shomate polynomial was created from the SUPCRT92
J. Phys Chem Ref article, and the codata recommended J. Phys Chem Ref article, and the CODATA recommended
values. DelHf(298.15) = -167.08 kJ/gmol values. DelHf(298.15) = -167.08 kJ/gmol
S(298.15) = 56.60 J/gmolK S(298.15) = 56.60 J/gmolK
There was a slight discrepency between those two, which was There was a slight discrepancy between those two, which was
resolved in favor of codata. resolved in favor of CODATA.
Notes: the order of the polynomials can be decreased by Notes: the order of the polynomials can be decreased by
dropping terms from the complete Shomate poly. dropping terms from the complete Shomate poly.
--> -->
@ -207,11 +207,11 @@
<species name="OH-"> <species name="OH-">
<!-- OH- (aq) standard state based on the unity molality convention <!-- OH- (aq) standard state based on the unity molality convention
The shomate polynomial was created with data from the SUPCRT92 The shomate polynomial was created with data from the SUPCRT92
J. Phys Chem Ref article, and from the codata recommended J. Phys Chem Ref article, and from the CODATA recommended
values. DelHf(298.15) = -230.015 kJ/gmol values. DelHf(298.15) = -230.015 kJ/gmol
S(298.15) = -10.90 J/gmolK S(298.15) = -10.90 J/gmolK
There was a slight discrepency between those two, which was There was a slight discrepancy between those two, which was
resolved in favor of codata. resolved in favor of CODATA.
Notes: the order of the polynomials can be decreased by Notes: the order of the polynomials can be decreased by
dropping terms from the complete Shomate poly. dropping terms from the complete Shomate poly.
--> -->

12
test_problems/cathermo/HMW_graph_HvT/HMW_NaCl_sp1977_alt.xml
View file

@ -150,11 +150,11 @@
<species name="Cl-"> <species name="Cl-">
<!-- Cl- (aq) standard state based on the unity molality convention <!-- Cl- (aq) standard state based on the unity molality convention
The shomate polynomial was created from the SUPCRT92 The shomate polynomial was created from the SUPCRT92
J. Phys Chem Ref article, and the codata recommended J. Phys Chem Ref article, and the CODATA recommended
values. DelHf(298.15) = -167.08 kJ/gmol values. DelHf(298.15) = -167.08 kJ/gmol
S(298.15) = 56.60 J/gmolK S(298.15) = 56.60 J/gmolK
There was a slight discrepency between those two, which was There was a slight discrepancy between those two, which was
resolved in favor of codata. resolved in favor of CODATA.
Notes: the order of the polynomials can be decreased by Notes: the order of the polynomials can be decreased by
dropping terms from the complete Shomate poly. dropping terms from the complete Shomate poly.
--> -->
@ -207,11 +207,11 @@
<species name="OH-"> <species name="OH-">
<!-- OH- (aq) standard state based on the unity molality convention <!-- OH- (aq) standard state based on the unity molality convention
The shomate polynomial was created with data from the SUPCRT92 The shomate polynomial was created with data from the SUPCRT92
J. Phys Chem Ref article, and from the codata recommended J. Phys Chem Ref article, and from the CODATA recommended
values. DelHf(298.15) = -230.015 kJ/gmol values. DelHf(298.15) = -230.015 kJ/gmol
S(298.15) = -10.90 J/gmolK S(298.15) = -10.90 J/gmolK
There was a slight discrepency between those two, which was There was a slight discrepancy between those two, which was
resolved in favor of codata. resolved in favor of CODATA.
Notes: the order of the polynomials can be decreased by Notes: the order of the polynomials can be decreased by
dropping terms from the complete Shomate poly. dropping terms from the complete Shomate poly.
--> -->

12
test_problems/cathermo/HMW_graph_VvT/HMW_NaCl_sp1977_alt.xml
View file

@ -150,11 +150,11 @@
<species name="Cl-"> <species name="Cl-">
<!-- Cl- (aq) standard state based on the unity molality convention <!-- Cl- (aq) standard state based on the unity molality convention
The shomate polynomial was created from the SUPCRT92 The shomate polynomial was created from the SUPCRT92
J. Phys Chem Ref article, and the codata recommended J. Phys Chem Ref article, and the CODATA recommended
values. DelHf(298.15) = -167.08 kJ/gmol values. DelHf(298.15) = -167.08 kJ/gmol
S(298.15) = 56.60 J/gmolK S(298.15) = 56.60 J/gmolK
There was a slight discrepency between those two, which was There was a slight discrepancy between those two, which was
resolved in favor of codata. resolved in favor of CODATA.
Notes: the order of the polynomials can be decreased by Notes: the order of the polynomials can be decreased by
dropping terms from the complete Shomate poly. dropping terms from the complete Shomate poly.
--> -->
@ -207,11 +207,11 @@
<species name="OH-"> <species name="OH-">
<!-- OH- (aq) standard state based on the unity molality convention <!-- OH- (aq) standard state based on the unity molality convention
The shomate polynomial was created with data from the SUPCRT92 The shomate polynomial was created with data from the SUPCRT92
J. Phys Chem Ref article, and from the codata recommended J. Phys Chem Ref article, and from the CODATA recommended
values. DelHf(298.15) = -230.015 kJ/gmol values. DelHf(298.15) = -230.015 kJ/gmol
S(298.15) = -10.90 J/gmolK S(298.15) = -10.90 J/gmolK
There was a slight discrepency between those two, which was There was a slight discrepancy between those two, which was
resolved in favor of codata. resolved in favor of CODATA.
Notes: the order of the polynomials can be decreased by Notes: the order of the polynomials can be decreased by
dropping terms from the complete Shomate poly. dropping terms from the complete Shomate poly.
--> -->