Fixed some spelling issues
This commit is contained in:
parent
5c20b7f2af
commit
d16f70ab44
87 changed files with 197 additions and 204 deletions
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@ -236,7 +236,7 @@ opts.AddVariables(
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Fortran 90/95) and only need Python to process .cti files,
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then you only need a 'minimal' subset of the package
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(actually, only one file). The default behavior is to build
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the Python package if the required prerequsites (numpy) are
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the Python package if the required prerequisites (numpy) are
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installed.""",
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'default', ('full', 'minimal', 'none','default')),
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PathVariable(
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@ -541,7 +541,7 @@ opts.AddVariables(
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BoolVariable(
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'build_with_f2c',
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"""For external procedures written in Fortran 77, both the
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original F77 source code and C souce code generated by the
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original F77 source code and C source code generated by the
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'f2c' program are included. Set this to "n" if you want to
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build Cantera using the F77 sources in the ext directory.""",
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True),
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@ -44,7 +44,7 @@
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* Categorizing the Different %ThermoPhase Objects
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* </H3>
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*
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* ThermoPhase objects may be catelogged into four general bins.
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* ThermoPhase objects may be cataloged into four general bins.
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*
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* The first type are those whose underlying species have a reference state associated
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* with them. The reference state describes the thermodynamic functions for a
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@ -97,7 +97,7 @@
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* SimpleThermo calculators to help in calculating the properties for all of the
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* species in a phase. However, there are some PDSS objects which do not employ
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* reference state calculations. An example of this is real equation of state for
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* liquid water used within the calculation of brine thermodynamcis.
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* liquid water used within the calculation of brine thermodynamics.
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* In general, the independent variables that completely describe the state of the
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* system for this class are temperature, the
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* phase pressure, and N - 1 species mole or mass fractions or molalities.
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@ -252,7 +252,7 @@
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* <TR>
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* <TD> \link State::setDensity() setDensity()\endlink </TD>
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* <TD> Set the total density of the phase. The temperature and
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* mole fractions are assumed fixed. Note this implicity
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* mole fractions are assumed fixed. Note this implicitly
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* sets the pressure of the phase.
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* </TD>
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* </TR>
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@ -334,7 +334,7 @@
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* This equation, when applied to the \f$ \zeta_k \f$ equation described
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* above, results in a zero net change in the effective Gibbs free
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* energy of the phase. However, specific charged species in the phase
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* may increase or decrease their electochemical potentials, which will
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* may increase or decrease their electrochemical potentials, which will
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* have an effect on interfacial reactions involving charged species,
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* when there is a potential drop between phases. This effect is used
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* within the Cantera::InterfaceKinetics and Cantera::EdgeKinetics kinetics
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@ -422,7 +422,7 @@
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* terms of concentrations, i.e., gmol cm-3. In solid phase studies,
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* however, kinetics is usually expressed in terms of unitless activities,
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* which most often equate to solid phase mole fractions. In order to
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* accomodate variability here, %Cantera has come up with the idea
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* accommodate variability here, %Cantera has come up with the idea
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* of activity concentrations, \f$ C^a_k \f$. Activity concentrations are the expressions
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* used directly in kinetics expressions.
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* These activity (or generalized) concentrations are used
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@ -439,7 +439,7 @@
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* \f]
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*
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* \f$ C^0_k \f$ are called standard concentrations. They serve as multiplicative factors
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* bewteen the activities and the generalized concentrations. Standard concentrations
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* between the activities and the generalized concentrations. Standard concentrations
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* may be different for each species. They may depend on both the temperature
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* and the pressure. However, they may not depend
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* on the composition of the phase. For example, for the IdealGasPhase object
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@ -54,7 +54,7 @@ of this file is:
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other language (e.g. MATLAB or Fortran 90/95) and only need Python
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to process .cti files, then you only need a 'minimal' subset of the
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package (actually, only one file). The default behavior is to build
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the Python package if the required prerequsites (numpy) are
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the Python package if the required prerequisites (numpy) are
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installed.
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- default: 'default'
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@ -366,7 +366,7 @@ of this file is:
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* build_with_f2c: [ yes | no ]
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For external procedures written in Fortran 77, both the original F77
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source code and C souce code generated by the 'f2c' program are
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source code and C source code generated by the 'f2c' program are
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included. Set this to "n" if you want to build Cantera using the F77
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sources in the ext directory.
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- default: 'yes'
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@ -70,7 +70,7 @@ if env['build_with_f2c']:
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'$SOURCE > $TARGET')
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headerenv = prep_f2c(env)
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# Possibly system-depenent headers
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# Possibly system-dependent headers
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headerenv.Command('#ext/f2c_libs/signal1.h', 'f2c_libs/signal1.h0',
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Copy('$TARGET', '$SOURCE'))
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@ -99,7 +99,7 @@ for subdir, extensions, prepFunction in libs:
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objects = localenv.SharedObject(mglob(localenv, subdir, *extensions))
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libraryTargets.extend(objects)
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# Google Teset
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# Google Test
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localenv = env.Clone()
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localenv.Append(CPPPATH=[Dir('#ext/gtest'),
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Dir('#ext/gtest/include')],
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@ -6,7 +6,7 @@
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//---------------------------- Version Flags ------------------//
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// Cantera version -> this will be a double-quoted string value
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// refering to branch number within svn
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// referring to branch number within svn
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%(CANTERA_VERSION)s
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//------------------------ Development flags ------------------//
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@ -24,20 +24,20 @@
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//------------------------ Fortran settings -------------------//
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// define types doublereal, integer, and ftnlen to match the
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// define types doublereal, integer, and ftnlen to match the
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// corresponding Fortran data types on your system. The defaults
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// are OK for most systems
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typedef double doublereal; // Fortran double precision
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typedef double doublereal; // Fortran double precision
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typedef int integer; // Fortran integer
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typedef int ftnlen; // Fortran hidden string length type
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// Fortran compilers pass character strings in argument lists by
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// adding a hidden argement with the length of the string. Some
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// adding a hidden argument with the length of the string. Some
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// compilers add the hidden length argument immediately after the
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// CHARACTER variable being passed, while others put all of the hidden
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// length arguments at the end of the argument list. Define this if
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// length arguments at the end of the argument list. Define this if
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// the lengths are at the end of the argument list. This is usually the
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// case for most unix Fortran compilers, but is (by default) false for
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// Visual Fortran under Windows.
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@ -65,7 +65,7 @@ typedef int ftnlen; // Fortran hidden string length type
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//--------- operating system --------------------------------------
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// The configure script defines this if the operatiing system is Mac
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// The configure script defines this if the operating system is Mac
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// OS X, This used to add some Mac-specific directories to the default
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// data file search path.
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%(DARWIN)s
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@ -75,8 +75,8 @@ typedef int ftnlen; // Fortran hidden string length type
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// windows, with gcc being used as the compiler.
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%(CYGWIN)s
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// Identify whether the operating system is solaris
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// with a native compiler
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// Identify whether the operating system is Solaris
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// with a native compiler
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%(SOLARIS)s
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//--------- Fonts for reaction path diagrams ----------------------
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@ -86,7 +86,7 @@ typedef int ftnlen; // Fortran hidden string length type
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// This define is needed to account for the variability for how
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// static variables in templated classes are defined. Right now
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// this is only turned on for the SunPro compiler on solaris.
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// this is only turned on for the SunPro compiler on Solaris.
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// in that system , you need to declare the static storage variable.
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// with the following line in the include file
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//
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@ -123,7 +123,7 @@ typedef int ftnlen; // Fortran hidden string length type
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// This define indicates the enabling of the inclusion of
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// accurate liquid/vapor equations
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// of state for several fluids, including water, nitrogen, hydrogen,
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// oxygen, methane, andd HFC-134a.
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// oxygen, methane, and HFC-134a.
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%(WITH_PURE_FLUIDS)s
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%(WITH_LATTICE_SOLID)s
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@ -318,7 +318,7 @@ namespace VCSnonideal
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*/
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#define VCS_ELEM_TYPE_CHARGENEUTRALITY 2
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//! Constraint associated with maintaing a fixed lattice stoichiometry int eh
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//! Constraint associated with maintaining a fixed lattice stoichiometry in the
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//! solids
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/*!
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* The constraint may have positive or negative values. The lattice 0 species will
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@ -157,7 +157,7 @@ public:
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//! @deprecated use type() instead
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DEPRECATED(virtual int ID() const);
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//! Retunr the type of the kinetics object
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//! Return the type of the kinetics object
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virtual int type() const;
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//! Set the electric potential in the nth phase
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@ -741,7 +741,7 @@ public:
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*
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* @param time_curr Current time
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* @param ydot0 INPUT Current value of the derivative of the solution vector
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* @param ydot1 INPUT Time derivates of solution at the conditions which are evaluated for success
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* @param ydot1 INPUT Time derivatives of solution at the conditions which are evaluated for success
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* @param numTrials OUTPUT Counter for the number of residual evaluations
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*/
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void descentComparison(doublereal time_curr ,doublereal* ydot0, doublereal* ydot1, int& numTrials);
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@ -840,7 +840,7 @@ public:
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* @param ydot_n_curr INPUT Current value of the derivative of the solution vector
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* @param step_1 INPUT Trial step
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* @param y_n_1 OUTPUT Solution values at the conditions which are evaluated for success
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* @param ydot_n_1 OUTPUT Time derivates of solution at the conditions which are evaluated for success
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* @param ydot_n_1 OUTPUT Time derivatives of solution at the conditions which are evaluated for success
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* @param trustDeltaOld INPUT Value of the trust length at the old conditions
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*
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*
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@ -207,7 +207,7 @@ public:
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//! Evaluate any stopping criteria other than a final time limit
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/*!
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* If we are to stop the time integration for any reason other than reaching a final time limit, tout,
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* provide a test here. This call is made at the end of every succesful time step iteration
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* provide a test here. This call is made at the end of every successful time step iteration
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*
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* @return If true, the the time stepping is stopped. If false, then time stepping is stopped if t >= tout
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* Defaults to false.
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@ -786,7 +786,7 @@ public:
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//! Set the internally stored density (gm/m^3) of the phase.
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/*!
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* Overwritten setDensity() function is necessary because the
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* density is not an indendent variable.
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* density is not an independent variable.
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*
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* This function will now throw an error condition
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*
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@ -813,7 +813,7 @@ public:
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//! Set the internally stored molar density (kmol/m^3) of the phase.
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/**
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* Overwritten setMolarDensity() function is necessary because the
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* density is not an indendent variable.
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* density is not an independent variable.
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*
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* This function will now throw an error condition if the input
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* isn't exactly equal to the current molar density.
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@ -1017,7 +1017,7 @@ public:
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/*!
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* For this phase, the partial molar enthalpies are equal to the
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* standard state enthalpies modified by the derivative of the
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* molality-based activity coefficent wrt temperature
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* molality-based activity coefficient wrt temperature
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*
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* \f[
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* \bar h_k(T,P) = h^{\triangle}_k(T,P) - R T^2 \frac{d \ln(\gamma_k^\triangle)}{dT}
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@ -46,7 +46,7 @@ namespace Cantera
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*/
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#define CT_ELEM_TYPE_CHARGENEUTRALITY 2
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//! Constraint associated with maintaing a fixed lattice stoichiometry in a solid
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//! Constraint associated with maintaining a fixed lattice stoichiometry in a solid
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/*!
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* The constraint may have positive or negative values. The lattice 0 species will
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* have negative values while higher lattices will have positive values
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@ -171,7 +171,7 @@ public:
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FixedChemPotSSTP();
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//! Construct and initialize a FixedChemPotSSTP ThermoPhase object
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//! directly from an asci input file
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//! directly from an ASCII input file
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/*!
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* @param infile name of the input file
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* @param id name of the phase id in the file.
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@ -1251,7 +1251,7 @@ public:
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HMWSoln();
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//! Construct and initialize an HMWSoln ThermoPhase object
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//! directly from an asci input file
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//! directly from an ASCII input file
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/*!
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* Working constructors
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*
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@ -1782,7 +1782,7 @@ public:
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/*!
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* For this phase, the partial molar enthalpies are equal to the
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* standard state enthalpies modified by the derivative of the
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* molality-based activity coefficent wrt temperature
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* molality-based activity coefficient wrt temperature
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*
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* \f[
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* \bar h_k(T,P) = h^{\triangle}_k(T,P)
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@ -1813,7 +1813,7 @@ public:
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* For this phase, the partial molar entropies are equal to the
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* SS species entropies plus the ideal solution contribution
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* plus complicated functions of the
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* temperature derivative of the activity coefficents.
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* temperature derivative of the activity coefficients.
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*
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* \f[
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* \bar s_k(T,P) = s^{\triangle}_k(T,P)
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@ -3019,7 +3019,7 @@ private:
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/**
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* Various temporary arrays used in the calculation of
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* the Pitzer activity coefficents.
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* the Pitzer activity coefficients.
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* The subscript, L, denotes the same quantity's derivative
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* wrt temperature
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*/
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@ -305,7 +305,7 @@ protected:
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public:
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/**
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* Overwritten setDensity() function is necessary because the
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* density is not an indendent variable.
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* density is not an independent variable.
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*
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* This function will now throw an error condition
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*
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@ -325,7 +325,7 @@ public:
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/**
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* Overwritten setMolarDensity() function is necessary because the
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* density is not an indendent variable.
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* density is not an independent variable.
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*
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* This function will now throw an error condition.
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*
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@ -85,7 +85,7 @@ public:
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//! Construct and initialize an IdealSolidSolnPhase ThermoPhase object
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//! directly from an asci input file
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//! directly from an ASCII input file
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/*!
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*
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* This constructor will also fully initialize the object.
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@ -313,7 +313,7 @@ public:
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/**
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* Overwritten setDensity() function is necessary because the
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* density is not an indendent variable.
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* density is not an independent variable.
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*
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* This function will now throw an error condition
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*
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@ -452,11 +452,11 @@ public:
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* <TR><TD> 2 </TD><TD> X_k / V_N </TD><TD> 1.0 / V_N </TD></TR>
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* </TABLE>
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*
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* HKM Note: We have absorbed the pressure dependence of the pures species
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* HKM Note: We have absorbed the pressure dependence of the pure species
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* state into the thermodynamics functions. Therefore the
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* standard state on which the activities are based depend
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* on both temperature and pressure. If we hadn't, it would have
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* appeared in this function in a very awkwards exp[] format.
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* appeared in this function in a very awkward exp[] format.
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*
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* @param c Pointer to array of doubles of length m_kk, which on exit
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* will contain the generalized concentrations.
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@ -525,7 +525,7 @@ public:
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*
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* For EOS types other than cIdealSolidSolnPhase0, the default
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* kmol/m3 holds for standard concentration units. For
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* cIdealSolidSolnPhase0 type, the standard concentrtion is
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* cIdealSolidSolnPhase0 type, the standard concentration is
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* unitless.
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*/
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virtual void getUnitsStandardConc(double* uA, int k = 0,
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@ -83,7 +83,7 @@ public:
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IonsFromNeutralVPSSTP();
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//! Construct and initialize an IonsFromNeutralVPSSTP object
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//! directly from an asci input file
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//! directly from an ASCII input file
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/*!
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* Working constructors
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*
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@ -293,7 +293,7 @@ public:
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*
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* For this phase, the partial molar enthalpies are equal to the
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* standard state enthalpies modified by the derivative of the
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* molality-based activity coefficent wrt temperature
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* molality-based activity coefficient wrt temperature
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*
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* \f[
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* \bar h_k(T,P) = h^o_k(T,P) - R T^2 \frac{d \ln(\gamma_k)}{dT}
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@ -311,7 +311,7 @@ public:
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*
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* For this phase, the partial molar enthalpies are equal to the
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* standard state enthalpies modified by the derivative of the
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* activity coefficent wrt temperature
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* activity coefficient wrt temperature
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*
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* \f[
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* \bar s_k(T,P) = s^o_k(T,P) - R T^2 \frac{d \ln(\gamma_k)}{dT}
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|
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@ -346,9 +346,9 @@ public:
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//! The mole fraction of species k.
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/*!
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* If k is ouside the valid
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* If k is outside the valid
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* range, an exception will be thrown. Note that it is
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* somewhat more efficent to call getMoleFractions if the
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* somewhat more efficient to call getMoleFractions if the
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* mole fractions of all species are desired.
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* @param k species index
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*/
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@ -368,7 +368,7 @@ public:
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//! Mass fraction of species k.
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/*!
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* If k is outside the valid range, an exception will be thrown. Note that it is
|
||||
* somewhat more efficent to call getMassFractions if the mass fractions of all species are desired.
|
||||
* somewhat more efficient to call getMassFractions if the mass fractions of all species are desired.
|
||||
*
|
||||
* @param k species index
|
||||
*/
|
||||
|
|
|
|||
|
|
@ -534,7 +534,7 @@ public:
|
|||
*
|
||||
* For this phase, the partial molar enthalpies are equal to the
|
||||
* standard state enthalpies modified by the derivative of the
|
||||
* molality-based activity coefficent wrt temperature
|
||||
* molality-based activity coefficient wrt temperature
|
||||
*
|
||||
* \f[
|
||||
* \bar h_k(T,P) = h^o_k(T,P) - R T^2 \frac{d \ln(\gamma_k)}{dT}
|
||||
|
|
@ -552,7 +552,7 @@ public:
|
|||
*
|
||||
* For this phase, the partial molar enthalpies are equal to the
|
||||
* standard state enthalpies modified by the derivative of the
|
||||
* activity coefficent wrt temperature
|
||||
* activity coefficient wrt temperature
|
||||
*
|
||||
* \f[
|
||||
* \bar s_k(T,P) = s^o_k(T,P) - R T^2 \frac{d \ln(\gamma_k)}{dT}
|
||||
|
|
@ -572,7 +572,7 @@ public:
|
|||
*
|
||||
* For this phase, the partial molar enthalpies are equal to the
|
||||
* standard state enthalpies modified by the derivative of the
|
||||
* activity coefficent wrt temperature
|
||||
* activity coefficient wrt temperature
|
||||
*
|
||||
* \f[
|
||||
* ???????????????
|
||||
|
|
|
|||
|
|
@ -193,7 +193,7 @@ public:
|
|||
MetalSHEelectrons();
|
||||
|
||||
//! Construct and initialize a %MetalSHEelectrons %ThermoPhase object
|
||||
//! directly from an asci input file
|
||||
//! directly from an ASCII input file
|
||||
/*!
|
||||
* @param infile name of the input file
|
||||
* @param id name of the phase id in the file.
|
||||
|
|
|
|||
|
|
@ -168,7 +168,7 @@ public:
|
|||
MineralEQ3();
|
||||
|
||||
//! Construct and initialize a StoichSubstanceSSTP ThermoPhase object
|
||||
//! directly from an asci input file
|
||||
//! directly from an ASCII input file
|
||||
/*!
|
||||
* @param infile name of the input file
|
||||
* @param id name of the phase id in the file.
|
||||
|
|
|
|||
|
|
@ -539,7 +539,7 @@ public:
|
|||
*
|
||||
* For this phase, the partial molar enthalpies are equal to the
|
||||
* standard state enthalpies modified by the derivative of the
|
||||
* molality-based activity coefficent wrt temperature
|
||||
* molality-based activity coefficient wrt temperature
|
||||
*
|
||||
* \f[
|
||||
* \bar h_k(T,P) = h^o_k(T,P) - R T^2 \frac{d \ln(\gamma_k)}{dT}
|
||||
|
|
@ -557,7 +557,7 @@ public:
|
|||
*
|
||||
* For this phase, the partial molar enthalpies are equal to the
|
||||
* standard state enthalpies modified by the derivative of the
|
||||
* activity coefficent wrt temperature
|
||||
* activity coefficient wrt temperature
|
||||
*
|
||||
* \f[
|
||||
* \bar s_k(T,P) = s^o_k(T,P) - R T^2 \frac{d \ln(\gamma_k)}{dT}
|
||||
|
|
@ -577,7 +577,7 @@ public:
|
|||
*
|
||||
* For this phase, the partial molar enthalpies are equal to the
|
||||
* standard state enthalpies modified by the derivative of the
|
||||
* activity coefficent wrt temperature
|
||||
* activity coefficient wrt temperature
|
||||
*
|
||||
* \f[
|
||||
* ???????????????
|
||||
|
|
|
|||
|
|
@ -52,7 +52,7 @@ class PDSS;
|
|||
/**
|
||||
* @ingroup thermoprops
|
||||
*
|
||||
* This is a filter class for ThermoPhase that implements some prepatory
|
||||
* This is a filter class for ThermoPhase that implements some preparatory
|
||||
* steps for efficiently handling mixture of gases that whose standard states
|
||||
* are defined as ideal gases, but which describe also non-ideal solutions.
|
||||
* In addition a multicomponent liquid phase below the critical temperature of the
|
||||
|
|
@ -74,7 +74,7 @@ class PDSS;
|
|||
* Typically, only one liquid phase is allowed to be formed within these classes.
|
||||
* Additionally, there is an inherent contradiction between three phase models and
|
||||
* the ThermoPhase class. The ThermoPhase class is really only meant to represent a
|
||||
* single instanteation of a phase. The three phase models may be in equilibrium with
|
||||
* single instantiation of a phase. The three phase models may be in equilibrium with
|
||||
* multiple phases of the fluid in equilibrium with each other. This has yet to be resolved.
|
||||
*
|
||||
* This class is usually used for non-ideal gases.
|
||||
|
|
@ -450,7 +450,7 @@ public:
|
|||
/*!
|
||||
* This is useful when the normalization
|
||||
* condition is being handled by some other means, for example
|
||||
* by a constraint equation as part of a larger set ofequations.
|
||||
* by a constraint equation as part of a larger set of equations.
|
||||
*
|
||||
* @param x Input vector of mole fractions.
|
||||
* Length is m_kk.
|
||||
|
|
@ -786,7 +786,7 @@ public:
|
|||
*
|
||||
*
|
||||
* @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.
|
||||
*/
|
||||
virtual doublereal densityCalc(doublereal TKelvin, doublereal pressure, int phaseRequested,
|
||||
|
|
@ -808,7 +808,7 @@ public:
|
|||
//! Returns the Phase State flag for the current state of the object
|
||||
/*!
|
||||
* @param checkState If true, this function does a complete check to see where
|
||||
* in paramters space we are
|
||||
* in parameters space we are
|
||||
*
|
||||
* There are three values:
|
||||
* WATER_GAS below the critical temperature but below the critical density
|
||||
|
|
@ -894,7 +894,7 @@ protected:
|
|||
|
||||
protected:
|
||||
|
||||
//! Current value of the pressurees
|
||||
//! Current value of the pressures
|
||||
/*!
|
||||
* Because the pressure is now a calculation, we store the result of the calculation whenever
|
||||
* it is recalculated.
|
||||
|
|
|
|||
|
|
@ -272,7 +272,7 @@ public:
|
|||
*
|
||||
* For this phase, the partial molar enthalpies are equal to the
|
||||
* standard state enthalpies modified by the derivative of the
|
||||
* molality-based activity coefficent wrt temperature
|
||||
* molality-based activity coefficient wrt temperature
|
||||
*
|
||||
* \f[
|
||||
* \bar h_k(T,P) = h^o_k(T,P) - R T^2 \frac{d \ln(\gamma_k)}{dT}
|
||||
|
|
@ -290,7 +290,7 @@ public:
|
|||
*
|
||||
* For this phase, the partial molar enthalpies are equal to the
|
||||
* standard state enthalpies modified by the derivative of the
|
||||
* activity coefficent wrt temperature
|
||||
* activity coefficient wrt temperature
|
||||
*
|
||||
* \f[
|
||||
* \bar s_k(T,P) = s^o_k(T,P) - R T^2 \frac{d \ln(\gamma_k)}{dT}
|
||||
|
|
@ -310,7 +310,7 @@ public:
|
|||
*
|
||||
* For this phase, the partial molar enthalpies are equal to the
|
||||
* standard state enthalpies modified by the derivative of the
|
||||
* activity coefficent wrt temperature
|
||||
* activity coefficient wrt temperature
|
||||
*
|
||||
* \f[
|
||||
* ???????????????
|
||||
|
|
|
|||
|
|
@ -570,7 +570,7 @@ public:
|
|||
*
|
||||
* For this phase, the partial molar enthalpies are equal to the
|
||||
* standard state enthalpies modified by the derivative of the
|
||||
* molality-based activity coefficent wrt temperature
|
||||
* molality-based activity coefficient wrt temperature
|
||||
*
|
||||
* \f[
|
||||
* \bar h_k(T,P) = h^o_k(T,P) - R T^2 \frac{d \ln(\gamma_k)}{dT}
|
||||
|
|
@ -588,7 +588,7 @@ public:
|
|||
*
|
||||
* For this phase, the partial molar enthalpies are equal to the
|
||||
* standard state enthalpies modified by the derivative of the
|
||||
* activity coefficent wrt temperature
|
||||
* activity coefficient wrt temperature
|
||||
*
|
||||
* \f[
|
||||
* \bar s_k(T,P) = s^o_k(T,P) - R T^2 \frac{d \ln(\gamma_k)}{dT}
|
||||
|
|
@ -608,7 +608,7 @@ public:
|
|||
*
|
||||
* For this phase, the partial molar enthalpies are equal to the
|
||||
* standard state enthalpies modified by the derivative of the
|
||||
* activity coefficent wrt temperature
|
||||
* activity coefficient wrt temperature
|
||||
*
|
||||
* \f[
|
||||
* ???????????????
|
||||
|
|
|
|||
|
|
@ -53,7 +53,7 @@ public:
|
|||
RedlichKwongMFTP();
|
||||
|
||||
//! Construct and initialize a RedlichKwongMFTP ThermoPhase object
|
||||
//! directly from an asci input file
|
||||
//! directly from an ASCII input file
|
||||
/*!
|
||||
* Working constructors
|
||||
*
|
||||
|
|
@ -801,21 +801,21 @@ protected:
|
|||
|
||||
//! The derivative of the pressure wrt the volume
|
||||
/*!
|
||||
* Calcualted at the current conditions
|
||||
* Calculated at the current conditions
|
||||
* temperature and mole number kept constant
|
||||
*/
|
||||
mutable doublereal dpdV_;
|
||||
|
||||
//! The derivative of the pressure wrt the temperature
|
||||
/*!
|
||||
* Calcualted at the current conditions
|
||||
* Calculated at the current conditions
|
||||
* Total volume and mole number kept constant
|
||||
*/
|
||||
mutable doublereal dpdT_;
|
||||
|
||||
//! Vector of derivatives of pressure wrt mole number
|
||||
/*!
|
||||
* Calcualted at the current conditions
|
||||
* Calculated at the current conditions
|
||||
* Total volume, temperature and other mole number kept constant
|
||||
*/
|
||||
mutable vector_fp dpdni_;
|
||||
|
|
|
|||
|
|
@ -46,7 +46,7 @@ class SpeciesThermoInterpType;
|
|||
* between a minimum temperature and a maximum temperature. The
|
||||
* reference state also specifies the molar volume of the species
|
||||
* as a function of temperature. The molar volume is a thermodynamic
|
||||
* function. By constrast, a full standard state does the same thing
|
||||
* function. By contrast, a full standard state does the same thing
|
||||
* as a reference state, but specifies the thermodynamics functions
|
||||
* at all pressures.
|
||||
*
|
||||
|
|
|
|||
|
|
@ -167,7 +167,7 @@ public:
|
|||
StoichSubstanceSSTP();
|
||||
|
||||
//! Construct and initialize a StoichSubstanceSSTP ThermoPhase object
|
||||
//! directly from an asci input file
|
||||
//! directly from an ASCII input file
|
||||
/*!
|
||||
* @param infile name of the input file
|
||||
* @param id name of the phase id in the file.
|
||||
|
|
@ -538,7 +538,7 @@ public:
|
|||
electrodeElectron();
|
||||
|
||||
//! Construct and initialize a electrodeElectron ThermoPhase object
|
||||
//! directly from an asci input file
|
||||
//! directly from an ASCII input file
|
||||
/*!
|
||||
* @param infile name of the input file
|
||||
* @param id name of the phase id in the file.
|
||||
|
|
|
|||
|
|
@ -154,7 +154,7 @@ public:
|
|||
SurfPhase(doublereal n0 = 0.0);
|
||||
|
||||
//! Construct and initialize a SurfPhase ThermoPhase object
|
||||
//! directly from an asci input file
|
||||
//! directly from an ASCII input file
|
||||
/*!
|
||||
* @param infile name of the input file
|
||||
* @param id name of the phase id in the file.
|
||||
|
|
|
|||
|
|
@ -18,7 +18,7 @@ namespace Cantera
|
|||
{
|
||||
|
||||
/*!
|
||||
* @name CONSTANTS - Specification of the Molality conventention
|
||||
* @name CONSTANTS - Specification of the Molality convention
|
||||
*/
|
||||
//@{
|
||||
//! Standard state uses the molar convention
|
||||
|
|
@ -28,7 +28,7 @@ const int cAC_CONVENTION_MOLALITY = 1;
|
|||
//@}
|
||||
|
||||
/*!
|
||||
* @name CONSTANTS - Specification of the SS conventention
|
||||
* @name CONSTANTS - Specification of the SS convention
|
||||
*/
|
||||
//@{
|
||||
//! Standard state uses the molar convention
|
||||
|
|
@ -69,7 +69,7 @@ class XML_Node;
|
|||
* To implement a new equation of state, derive a class from
|
||||
* ThermoPhase and overload the virtual methods in
|
||||
* ThermoPhase. Methods that are not needed can be left
|
||||
* unimplimented, which will cause an exception to be thrown if it
|
||||
* unimplemented, which will cause an exception to be thrown if it
|
||||
* is called.
|
||||
*
|
||||
* Relationship with the kinetics operator:
|
||||
|
|
@ -1215,7 +1215,7 @@ public:
|
|||
* dimensionless forms by multiplying by RT.
|
||||
* @param lambda Output vector containing the element potentials.
|
||||
* Length = nElements. Units are Joules/kmol.
|
||||
* @return bool indicating whether thare are any valid stored element
|
||||
* @return bool indicating whether there are any valid stored element
|
||||
* potentials. The calling routine should check this
|
||||
* bool. In the case that there aren't any, lambda is not
|
||||
* touched.
|
||||
|
|
|
|||
|
|
@ -80,7 +80,7 @@ class PDSS;
|
|||
* SimpleThermo calculators to help in calculating the properties for all of the
|
||||
* species in a phase. However, there are some PDSS objects which do not employ
|
||||
* reference state calculations. An example of this is a real equation of state for
|
||||
* liquid water used within the calculation of brine thermodynamcis.
|
||||
* liquid water used within the calculation of brine thermodynamics.
|
||||
*
|
||||
* Typically calls to calculate standard state thermo properties are virtual calls
|
||||
* at the ThermoPhase level. It is left to the child classes of ThermoPhase to
|
||||
|
|
|
|||
|
|
@ -67,7 +67,7 @@ class PDSS_Water;
|
|||
* This equation, when applied to the \f$ \zeta_k \f$ equation described
|
||||
* above, results in a zero net change in the effective Gibbs free
|
||||
* energy of the phase. However, specific charged species in the phase
|
||||
* may increase or decrease their electochemical potentials, which will
|
||||
* may increase or decrease their electrochemical potentials, which will
|
||||
* have an effect on interfacial reactions involving charged species,
|
||||
* when there is a potential drop between phases. This effect is used
|
||||
* within the Cantera::InterfaceKinetics and Cantera::EdgeKinetics kinetics
|
||||
|
|
|
|||
|
|
@ -388,23 +388,20 @@ private:
|
|||
|
||||
//! Polynomial coefficients of the viscosity
|
||||
/*!
|
||||
* These express the temperature dependendence of the pures
|
||||
* species viscosities.
|
||||
* These express the temperature dependence of the pure species viscosities.
|
||||
*/
|
||||
std::vector<vector_fp> m_visccoeffs;
|
||||
|
||||
//! Polynomial coefficients of the conductivities
|
||||
/*!
|
||||
* These express the temperature dependendence of the pures
|
||||
* species conductivities
|
||||
* These express the temperature dependence of the pure species conductivities
|
||||
*/
|
||||
std::vector<vector_fp> m_condcoeffs;
|
||||
|
||||
//! Polynomial coefficients of the binary diffusion coefficients
|
||||
/*!
|
||||
* These express the temperature dependendence of the
|
||||
* binary diffusivities. An overall pressure dependence is then
|
||||
* added.
|
||||
* These express the temperature dependence of the binary diffusivities.
|
||||
* An overall pressure dependence is then added.
|
||||
*/
|
||||
std::vector<vector_fp> m_diffcoeffs;
|
||||
|
||||
|
|
|
|||
|
|
@ -305,13 +305,13 @@ public:
|
|||
}
|
||||
|
||||
/**
|
||||
* The ionic conducitivity in 1/ohm/m.
|
||||
* The ionic conductivity in 1/ohm/m.
|
||||
*/
|
||||
virtual doublereal ionConductivity() {
|
||||
return err("ionConductivity");
|
||||
}
|
||||
|
||||
//! Returns the pure species ionic conducitivity
|
||||
//! Returns the pure species ionic conductivity
|
||||
/*!
|
||||
* The units are 1/ohm/m and the length is the number of species
|
||||
*
|
||||
|
|
@ -852,7 +852,7 @@ protected:
|
|||
//! Number of species
|
||||
size_t m_nsp;
|
||||
|
||||
//! Number of dimensions used in flux expresions
|
||||
//! Number of dimensions used in flux expressions
|
||||
size_t m_nDim;
|
||||
|
||||
//! Velocity basis from which diffusion velocities are computed.
|
||||
|
|
|
|||
|
|
@ -882,7 +882,7 @@ class Wall:
|
|||
Wall expansion rate parameter [m/s/Pa]. Defaults to 0.0.
|
||||
:param U:
|
||||
Overall heat transfer coefficient [W/m^2]. Defaults to 0.0
|
||||
(adiabbatic wall).
|
||||
(adiabatic wall).
|
||||
:param Q:
|
||||
Heat flux function :math:`q_0(t)` [W/m^2]. Optional. Default:
|
||||
:math:`q_0(t) = 0.0`.
|
||||
|
|
|
|||
|
|
@ -77,7 +77,7 @@ void runexample()
|
|||
m2.setMassFlowRate(air_mdot);
|
||||
|
||||
|
||||
// The igniter will use a Guassiam 'functor' object to specify the
|
||||
// The igniter will use a Gaussian 'functor' object to specify the
|
||||
// time-dependent igniter mass flow rate.
|
||||
double A = 0.1;
|
||||
double FWHM = 0.2;
|
||||
|
|
|
|||
|
|
@ -195,7 +195,7 @@ int flamespeed(int np, void* p)
|
|||
|
||||
/* Solve freely propagating flame*/
|
||||
|
||||
/* Linearally interpolate to find location where this
|
||||
/* Linearly interpolate to find location where this
|
||||
temperature would exist. The temperature at this
|
||||
location will then be fixed for remainder of
|
||||
calculation.*/
|
||||
|
|
|
|||
|
|
@ -103,7 +103,7 @@ metal(name = "metal",
|
|||
# the chemical potential of the electron is zero, and the
|
||||
# electrochemical potential is simply -F * phi, where phi is the
|
||||
# electric potential of the metal. Note that this simple model is
|
||||
# adequate only because all we require is a reservior for electrons;
|
||||
# adequate only because all we require is a reservoir for electrons;
|
||||
# if we wanted to do anything more complex, like carry out energy or
|
||||
# charge balances on the metal, then we would require a more complex
|
||||
# model. Note that there is no work function for this metal.
|
||||
|
|
@ -216,7 +216,7 @@ species( name = "H2O(m)", atoms = "H:2, O:1",
|
|||
s0 = (123.0, 'J/mol/K')))
|
||||
|
||||
|
||||
# Surface reactions on the metal. We assume three dissociave
|
||||
# Surface reactions on the metal. We assume three dissociative
|
||||
# adsorption reactions, and three reactions on the surface
|
||||
# among adsorbates. All reactions are treated as reversible.
|
||||
surface_reaction( "H2 + (m) + (m) <=> H(m) + H(m)",
|
||||
|
|
@ -259,7 +259,7 @@ ideal_interface(name = "oxide_surface",
|
|||
initial_state = state( temperature = tt,
|
||||
coverages = "O''(ox):2.0, (ox):0.0") )
|
||||
|
||||
# Note: hox, sox, hhydrox, andd shydrox are defined near the top of
|
||||
# Note: hox, sox, hhydrox, and shydrox are defined near the top of
|
||||
# this file.
|
||||
|
||||
# An oxygen ion at the surface, with charge = -2
|
||||
|
|
@ -282,7 +282,7 @@ species( name = "H2O(ox)", atoms = "H:2, O:1",
|
|||
s0 = (98.0,'J/mol/K')))
|
||||
|
||||
|
||||
# This reaction represents the exhange of a surface oxygen vacancy and
|
||||
# This reaction represents the exchange of a surface oxygen vacancy and
|
||||
# a subsurface vacancy. The concentration of subsurface vacancies is
|
||||
# fixed by the doping level. If this reaction is given a large rate,
|
||||
# then the surface vacancies will stay in equilibrium with the bulk
|
||||
|
|
|
|||
|
|
@ -57,7 +57,7 @@ m1 = MassFlowController(upstream = fuel_in,
|
|||
m2 = MassFlowController(upstream = air_in,
|
||||
downstream = combustor, mdot = air_mdot)
|
||||
|
||||
# The igniter will use a Guassiam 'functor' object to specify the
|
||||
# The igniter will use a Gaussian 'functor' object to specify the
|
||||
# time-dependent igniter mass flow rate.
|
||||
igniter_mdot = Gaussian(t0 = 1.0, FWHM = 0.2, A = 0.1)
|
||||
m3 = MassFlowController(upstream = igniter,
|
||||
|
|
|
|||
|
|
@ -84,7 +84,7 @@ class WxsGenerator(object):
|
|||
Compressed='yes',
|
||||
SummaryCodepage='1252', **fields))
|
||||
|
||||
# Required boilerplate refering to nonexistent installation media
|
||||
# Required boilerplate referring to nonexistent installation media
|
||||
media = et.SubElement(product, "Media",
|
||||
dict(Id='1',
|
||||
Cabinet='cantera.cab',
|
||||
|
|
|
|||
|
|
@ -1013,7 +1013,7 @@ int main(int argc, char* argv[])
|
|||
|
||||
if (ndiff > 0) {
|
||||
printf(
|
||||
"Column variable %s failed comparison test for %d occurances\n",
|
||||
"Column variable %s failed comparison test for %d occurrences\n",
|
||||
ColNames1[i1], ndiff);
|
||||
if (jmax >= 0) {
|
||||
printf(" Largest difference was at data row %d ", jmax + 1);
|
||||
|
|
|
|||
|
|
@ -35,7 +35,7 @@ static boost::mutex dir_mutex;
|
|||
//! Mutex for access to string messages
|
||||
static boost::mutex msg_mutex;
|
||||
|
||||
//! Mutex for creating singeltons within the application object
|
||||
//! Mutex for creating singletons within the application object
|
||||
static boost::mutex app_mutex;
|
||||
|
||||
// Mutex for controlling access to the log file
|
||||
|
|
@ -297,11 +297,11 @@ void Application::Messages::endLogGroup(std::string title)
|
|||
}
|
||||
AssertThrowMsg(current, "Application::Messages::endLogGroup",
|
||||
"Error while ending a LogGroup. This is probably due to an unmatched"
|
||||
" beginnning and ending group");
|
||||
" beginning and ending group");
|
||||
current = current->parent();
|
||||
AssertThrowMsg(current, "Application::Messages::endLogGroup",
|
||||
"Error while ending a LogGroup. This is probably due to an unmatched"
|
||||
" beginnning and ending group");
|
||||
" beginning and ending group");
|
||||
current = current->parent();
|
||||
// Get the loglevel of the previous level and get rid of
|
||||
// vector entry in loglevels.
|
||||
|
|
|
|||
|
|
@ -1295,7 +1295,7 @@ void XML_Node::build(std::istream& f)
|
|||
// into the destination XML_Node tree, doing a union operation as
|
||||
// we go
|
||||
/*
|
||||
* Note this is a const function becuase the current XML_Node and
|
||||
* Note this is a const function because the current XML_Node and
|
||||
* its children isn't altered by this operation.
|
||||
*
|
||||
* @param node_dest This is the XML node to receive the information
|
||||
|
|
@ -1359,7 +1359,7 @@ void XML_Node::copyUnion(XML_Node* const node_dest) const
|
|||
// into the destination XML_Node tree, doing a complete copy
|
||||
// as we go.
|
||||
/*
|
||||
* Note this is a const function becuase the current XML_Node and
|
||||
* Note this is a const function because the current XML_Node and
|
||||
* its children isn't altered by this operation.
|
||||
*
|
||||
* @param node_dest This is the XML node to receive the information
|
||||
|
|
|
|||
|
|
@ -48,7 +48,7 @@
|
|||
* again inadvertently nothing happens, and if an attempt is made to
|
||||
* reference the object by its index number, the base-class object
|
||||
* will be referenced instead, which will throw an exception. If
|
||||
* instead the pointer were stored in the refering code, there would
|
||||
* instead the pointer were stored in the referring code, there would
|
||||
* always be the chance that
|
||||
*
|
||||
* The Cabinet<M> class is implemented as a singlet. The constructor
|
||||
|
|
|
|||
|
|
@ -66,7 +66,7 @@ static size_t amax(double* x, size_t j, size_t n);
|
|||
* (each column is a new rhs)
|
||||
*
|
||||
* @return Retuns the value
|
||||
* 1 : Matrix is singluar
|
||||
* 1 : Matrix is singular
|
||||
* 0 : solution is OK
|
||||
*
|
||||
* The solution is returned in the matrix b.
|
||||
|
|
@ -572,7 +572,7 @@ static size_t amax(double* x, size_t j, size_t n)
|
|||
* idem >= n must be true
|
||||
*
|
||||
* Return Value
|
||||
* 1 : Matrix is singluar
|
||||
* 1 : Matrix is singular
|
||||
* 0 : solution is OK
|
||||
*
|
||||
* The solution is returned in the matrix b.
|
||||
|
|
@ -698,7 +698,7 @@ size_t Cantera::ElemRearrange(size_t nComponents, const vector_fp& elementAbunda
|
|||
}
|
||||
writelog("\n");
|
||||
writelog(" --- Subroutine ElemRearrange() called to ");
|
||||
writelog("check stoich. coefficent matrix\n");
|
||||
writelog("check stoich. coefficient matrix\n");
|
||||
writelog(" --- and to rearrange the element ordering once\n");
|
||||
}
|
||||
#endif
|
||||
|
|
|
|||
|
|
@ -889,7 +889,7 @@ private:
|
|||
* The phase stability problem requires a global reaction number for each
|
||||
* species in the phase. Usually this is the krxn = kglob - M for species
|
||||
* in the phase that are not components. For component species, the
|
||||
* choice of the reaction is one which maximimes the chance that the phase
|
||||
* choice of the reaction is one which maximizes the chance that the phase
|
||||
* pops into (or remains in) existence.
|
||||
* The index here is the local phase species index.
|
||||
* the value of the variable is the global vcs reaction number. Note,
|
||||
|
|
@ -972,11 +972,11 @@ private:
|
|||
//! Value of the potential for the phase (Volts)
|
||||
double m_phi;
|
||||
|
||||
//! Boolean indicating whether the object has an uptodate mole number vector
|
||||
//! Boolean indicating whether the object has an up-to-date mole number vector
|
||||
//! and potential with respect to the current vcs state calc status
|
||||
bool m_UpToDate;
|
||||
|
||||
//! Boolean indicating whether activity coefficients are uptodate.
|
||||
//! Boolean indicating whether activity coefficients are up to date.
|
||||
/*!
|
||||
* Activity coefficients and volume calculations are lagged. They are only
|
||||
* called when they are needed (and when the state has changed so that they
|
||||
|
|
@ -984,7 +984,7 @@ private:
|
|||
*/
|
||||
mutable bool m_UpToDate_AC;
|
||||
|
||||
//! Boolean indicating whether Star volumes are uptodate.
|
||||
//! Boolean indicating whether Star volumes are up to date.
|
||||
/*!
|
||||
* Activity coefficients and volume calculations are lagged. They are only
|
||||
* called when they are needed (and when the state has changed so that they
|
||||
|
|
@ -993,7 +993,7 @@ private:
|
|||
*/
|
||||
mutable bool m_UpToDate_VolStar;
|
||||
|
||||
//! Boolean indicating whether partial molar volumes are uptodate.
|
||||
//! Boolean indicating whether partial molar volumes are up to date.
|
||||
/*!
|
||||
* Activity coefficients and volume calculations are lagged. They are only
|
||||
* called when they are needed (and when the state has changed so that they
|
||||
|
|
@ -1002,14 +1002,14 @@ private:
|
|||
*/
|
||||
mutable bool m_UpToDate_VolPM;
|
||||
|
||||
//! Boolean indicating whether GStar is uptodate.
|
||||
//! Boolean indicating whether GStar is up to date.
|
||||
/*!
|
||||
* GStar is sensitive to the temperature and the pressure, only
|
||||
*/
|
||||
mutable bool m_UpToDate_GStar;
|
||||
|
||||
|
||||
//! Boolean indicating whether G0 is uptodate.
|
||||
//! Boolean indicating whether G0 is up to date.
|
||||
/*!
|
||||
* G0 is sensitive to the temperature and the pressure, only
|
||||
*/
|
||||
|
|
|
|||
|
|
@ -72,7 +72,7 @@ int VCS_SOLVE::vcs_elem_rearrange(double* const aw, double* const sa,
|
|||
}
|
||||
plogf("\n");
|
||||
plogf(" --- Subroutine elem_rearrange() called to ");
|
||||
plogf("check stoich. coefficent matrix\n");
|
||||
plogf("check stoich. coefficient matrix\n");
|
||||
plogf(" --- and to rearrange the element ordering once");
|
||||
plogendl();
|
||||
}
|
||||
|
|
|
|||
|
|
@ -135,7 +135,7 @@ double vcsUtil_gasConstant(int mu_units);
|
|||
*
|
||||
* @return The solution x[] is returned in the matrix <I>B</I>.
|
||||
* Routine returns an integer representing success:
|
||||
* - 1 : Matrix is singluar
|
||||
* - 1 : Matrix is singular
|
||||
* - 0 : solution is OK
|
||||
*
|
||||
*
|
||||
|
|
@ -172,7 +172,7 @@ int vcsUtil_mlequ(double* c, size_t idem, size_t n, double* b, size_t m);
|
|||
*
|
||||
* @return The solution x[] is returned in the matrix <I>B</I>.
|
||||
* Routine returns an integer representing success:
|
||||
* - 1 : Matrix is singluar
|
||||
* - 1 : Matrix is singular
|
||||
* - 0 : solution is OK
|
||||
*
|
||||
* @param c Matrix to be inverted. c is in fortran format, i.e., rows
|
||||
|
|
@ -231,7 +231,7 @@ typedef double(*VCS_FUNC_PTR)(double xval, double Vtarget,
|
|||
* f(xval).
|
||||
*
|
||||
* @param xmin Minimum permissible value of the x variable
|
||||
* @param xmax Maximum permissible value of the x paramerer
|
||||
* @param xmax Maximum permissible value of the x parameter
|
||||
* @param itmax Maximum number of iterations
|
||||
* @param func function pointer, pointing to the function to be
|
||||
* minimized
|
||||
|
|
@ -474,7 +474,7 @@ size_t vcs_optMax(const double* x, const double* xSize, size_t j, size_t n);
|
|||
*/
|
||||
int vcs_max_int(const int* vector, int length);
|
||||
|
||||
//! Prints a line consisting of mutliple occurances of the same string
|
||||
//! Prints a line consisting of multiple occurrences of the same string
|
||||
/*!
|
||||
* This prints a string num times, and then terminate with a
|
||||
* end of line character
|
||||
|
|
|
|||
|
|
@ -157,7 +157,7 @@ public:
|
|||
//! and species amounts
|
||||
/*!
|
||||
* All internally stored quantities will have these units. Also, printed
|
||||
* quantitities will display in these units.
|
||||
* quantities will display in these units.
|
||||
*
|
||||
* Chem_Pot Pres vol moles
|
||||
* ----------------------------------------------------------------------
|
||||
|
|
|
|||
|
|
@ -1510,7 +1510,7 @@ public:
|
|||
*
|
||||
* m_stoichCoeffRxnMatrix[irxn][j] :
|
||||
* j refers to the component number, and irxn refers to the irxn_th non-component species.
|
||||
* The stoichiometric coefficents multilpled by the Formula coefficients of the
|
||||
* The stoichiometric coefficients multiplied by the Formula coefficients of the
|
||||
* component species add up to the negative value of the number of elements in
|
||||
* the species kspec.
|
||||
*
|
||||
|
|
@ -1551,7 +1551,7 @@ public:
|
|||
std::vector<double> m_feSpecies_old;
|
||||
|
||||
//! Dimensionless new free energy for all the species in the mechanism
|
||||
//! at the new tentatite T, P, and mole numbers.
|
||||
//! at the new tentative T, P, and mole numbers.
|
||||
/*!
|
||||
* The first NC entries are for components. The following
|
||||
* NR entries are for the current non-component species in the mechanism.
|
||||
|
|
@ -1584,7 +1584,7 @@ public:
|
|||
* unknown. The second is the an interfacial
|
||||
* voltage where w[k] refers to the interfacial
|
||||
* voltage in volts.
|
||||
* These species types correspond to metalic
|
||||
* These species types correspond to metallic
|
||||
* electrons corresponding to electrodes.
|
||||
* The voltage and other interfacial conditions
|
||||
* sets up an interfacial current, which is
|
||||
|
|
|
|||
|
|
@ -2104,7 +2104,7 @@ double VCS_SOLVE::vcs_minor_alt_calc(size_t kspec, size_t irxn, bool* do_delete
|
|||
}
|
||||
|
||||
/*
|
||||
* get the diagonal of the activity coefficent jacobian
|
||||
* get the diagonal of the activity coefficient jacobian
|
||||
*/
|
||||
s = m_dLnActCoeffdMolNum[kspec][kspec];
|
||||
// s *= (m_tPhaseMoles_old[iph]);
|
||||
|
|
@ -3901,7 +3901,7 @@ int VCS_SOLVE::vcs_species_type(const size_t kspec) const
|
|||
if (m_molNumSpecies_old[j] < 1.0E-60) {
|
||||
#ifdef DEBUG_MODE
|
||||
if (m_debug_print_lvl >= 2) {
|
||||
plogf(" --- %s is prevented from popping into existance because"
|
||||
plogf(" --- %s is prevented from popping into existence because"
|
||||
" a needed component to be consumed, %s, has a zero mole number\n",
|
||||
m_speciesName[kspec].c_str(), m_speciesName[j].c_str());
|
||||
}
|
||||
|
|
@ -4892,9 +4892,9 @@ bool VCS_SOLVE::vcs_evaluate_speciesType()
|
|||
m_numRxnMinorZeroed = 0;
|
||||
#ifdef DEBUG_MODE
|
||||
if (m_debug_print_lvl >= 2) {
|
||||
plogf(" --- Species Status decision is reavaluated: All species are minor except for:\n");
|
||||
plogf(" --- Species Status decision is reevaluated: All species are minor except for:\n");
|
||||
} else if (m_debug_print_lvl >= 5) {
|
||||
plogf(" --- Species Status decision is reavaluated");
|
||||
plogf(" --- Species Status decision is reevaluated");
|
||||
plogendl();
|
||||
}
|
||||
#endif
|
||||
|
|
|
|||
|
|
@ -407,7 +407,7 @@ static void vcsUtil_mlequ_preprocess(double* c, size_t idem, size_t n, double* b
|
|||
* The matrix C is destroyed.
|
||||
*
|
||||
* @return Routine returns an integer representing success:
|
||||
* - 1 : Matrix is singluar
|
||||
* - 1 : Matrix is singular
|
||||
* - 0 : solution is OK
|
||||
* The solution x[] is returned in the matrix b.
|
||||
*
|
||||
|
|
@ -547,7 +547,7 @@ FOUND_PIVOT:
|
|||
* of lots of rhs's.
|
||||
*
|
||||
* @return Routine returns an integer representing success:
|
||||
* - 1 : Matrix is singluar
|
||||
* - 1 : Matrix is singular
|
||||
* - 0 : solution is OK
|
||||
* The solution x[] is returned in the matrix b.
|
||||
*
|
||||
|
|
|
|||
|
|
@ -255,7 +255,7 @@ doublereal ResidJacEval::filterSolnPrediction(doublereal t, doublereal* const y)
|
|||
// Evaluate any stopping criteria other than a final time limit
|
||||
/*
|
||||
* If we are to stop the time integration for any reason other than reaching a final time limit, tout,
|
||||
* provide a test here. This call is made at the end of every succesful time step iteration
|
||||
* provide a test here. This call is made at the end of every successful time step iteration
|
||||
*
|
||||
* @return If true, the the time stepping is stopped. If false, then time stepping is stopped if t >= tout
|
||||
* Defaults to false.
|
||||
|
|
|
|||
|
|
@ -432,7 +432,7 @@ doublereal DebyeHuckel::thermalExpansionCoeff() const
|
|||
|
||||
/*
|
||||
* Overwritten setDensity() function is necessary because the
|
||||
* density is not an indendent variable.
|
||||
* density is not an independent variable.
|
||||
*
|
||||
* This function will now throw an error condition
|
||||
*
|
||||
|
|
@ -457,7 +457,7 @@ void DebyeHuckel::setDensity(doublereal rho)
|
|||
|
||||
/*
|
||||
* Overwritten setMolarDensity() function is necessary because the
|
||||
* density is not an indendent variable.
|
||||
* density is not an independent variable.
|
||||
*
|
||||
* This function will now throw an error condition.
|
||||
*
|
||||
|
|
|
|||
|
|
@ -12,10 +12,6 @@
|
|||
*
|
||||
*/
|
||||
|
||||
/*
|
||||
* $Id: FixedChemPotSSTP.cpp 255 2009-11-09 23:36:49Z hkmoffa $
|
||||
*/
|
||||
|
||||
#include "cantera/base/ct_defs.h"
|
||||
#include "cantera/thermo/mix_defs.h"
|
||||
#include "cantera/thermo/FixedChemPotSSTP.h"
|
||||
|
|
@ -42,7 +38,7 @@ FixedChemPotSSTP::FixedChemPotSSTP() :
|
|||
}
|
||||
//====================================================================================================================
|
||||
// Create and initialize a FixedChemPotSSTP ThermoPhase object
|
||||
// from an asci input file
|
||||
// from an ASCII input file
|
||||
/*
|
||||
* @param infile name of the input file
|
||||
* @param id name of the phase id in the file.
|
||||
|
|
|
|||
|
|
@ -835,7 +835,7 @@ double HMWSoln::density() const
|
|||
|
||||
/*
|
||||
* Overwritten setDensity() function is necessary because the
|
||||
* density is not an indendent variable.
|
||||
* density is not an independent variable.
|
||||
*
|
||||
* This function will now throw an error condition
|
||||
*
|
||||
|
|
@ -865,7 +865,7 @@ void HMWSoln::setDensity(const doublereal rho)
|
|||
|
||||
/*
|
||||
* Overwritten setMolarDensity() function is necessary because the
|
||||
* density is not an indendent variable.
|
||||
* density is not an independent variable.
|
||||
*
|
||||
* This function will now throw an error condition.
|
||||
*
|
||||
|
|
@ -1147,7 +1147,7 @@ void HMWSoln::getChemPotentials(doublereal* mu) const
|
|||
*
|
||||
* For this phase, the partial molar enthalpies are equal to the
|
||||
* standard state enthalpies modified by the derivative of the
|
||||
* molality-based activity coefficent wrt temperature
|
||||
* molality-based activity coefficient wrt temperature
|
||||
*
|
||||
* \f[
|
||||
* \bar h_k(T,P) = h^{\triangle}_k(T,P) - R T^2 \frac{d \ln(\gamma_k^\triangle)}{dT}
|
||||
|
|
@ -1854,7 +1854,7 @@ void HMWSoln::s_update_lnMolalityActCoeff() const
|
|||
calcMolalities();
|
||||
/*
|
||||
* Calculate a cropped set of molalities that will be used
|
||||
* in all activity coefficent calculations.
|
||||
* in all activity coefficient calculations.
|
||||
*/
|
||||
calcMolalitiesCropped();
|
||||
/*
|
||||
|
|
|
|||
|
|
@ -385,7 +385,7 @@ void IdealGasPhase::getStandardVolumes(doublereal* vol) const
|
|||
/*
|
||||
* Returns the vector of nondimensional
|
||||
* enthalpies of the reference state at the current temperature
|
||||
* and reference presssure.
|
||||
* and reference pressure.
|
||||
*/
|
||||
void IdealGasPhase::getEnthalpy_RT_ref(doublereal* hrt) const
|
||||
{
|
||||
|
|
@ -489,7 +489,7 @@ void IdealGasPhase::initThermo()
|
|||
/*
|
||||
* Set mixture to an equilibrium state consistent with specified
|
||||
* chemical potentials and temperature. This method is needed by
|
||||
* the ChemEquil equillibrium solver.
|
||||
* the ChemEquil equilibrium solver.
|
||||
*/
|
||||
void IdealGasPhase::setToEquilState(const doublereal* mu_RT)
|
||||
{
|
||||
|
|
|
|||
|
|
@ -342,7 +342,7 @@ doublereal IdealMolalSoln::thermalExpansionCoeff() const
|
|||
|
||||
/*
|
||||
* Overwritten setDensity() function is necessary because the
|
||||
* density is not an indendent variable.
|
||||
* density is not an independent variable.
|
||||
*
|
||||
* This function will now throw an error condition
|
||||
*
|
||||
|
|
@ -367,7 +367,7 @@ void IdealMolalSoln::setDensity(const doublereal rho)
|
|||
|
||||
/*
|
||||
* Overwritten setMolarDensity() function is necessary because the
|
||||
* density is not an indendent variable.
|
||||
* density is not an independent variable.
|
||||
*
|
||||
* This function will now throw an error condition.
|
||||
*
|
||||
|
|
|
|||
|
|
@ -295,7 +295,7 @@ void IdealSolidSolnPhase::calcDensity()
|
|||
|
||||
/**
|
||||
* Overwritten setDensity() function is necessary because the
|
||||
* density is not an indendent variable.
|
||||
* density is not an independent variable.
|
||||
*
|
||||
* This function will now throw an error condition
|
||||
*
|
||||
|
|
@ -347,7 +347,7 @@ void IdealSolidSolnPhase::setPressure(doublereal p)
|
|||
/*
|
||||
* setMolarDensity() (virtual from State)
|
||||
* Overwritten setMolarDensity() function is necessary because the
|
||||
* density is not an indendent variable.
|
||||
* density is not an independent variable.
|
||||
*
|
||||
* This function will now throw an error condition.
|
||||
*
|
||||
|
|
@ -591,7 +591,7 @@ logStandardConc(size_t k) const
|
|||
*
|
||||
* For EOS types other than cIdealSolidSolnPhase1, the default
|
||||
* kmol/m3 holds for standard concentration units. For
|
||||
* cIdealSolidSolnPhase0 type, the standard concentrtion is
|
||||
* cIdealSolidSolnPhase0 type, the standard concentration is
|
||||
* unitless.
|
||||
*/
|
||||
void IdealSolidSolnPhase::
|
||||
|
|
|
|||
|
|
@ -295,7 +295,7 @@ doublereal IdealSolnGasVPSS::logStandardConc(size_t k) const
|
|||
*
|
||||
* For EOS types other than cIdealSolidSolnPhase1, the default
|
||||
* kmol/m3 holds for standard concentration units. For
|
||||
* cIdealSolidSolnPhase0 type, the standard concentrtion is
|
||||
* cIdealSolidSolnPhase0 type, the standard concentration is
|
||||
* unitless.
|
||||
*/
|
||||
void IdealSolnGasVPSS::getUnitsStandardConc(double* uA, int, int sizeUA) const
|
||||
|
|
|
|||
|
|
@ -56,7 +56,7 @@ IonsFromNeutralVPSSTP::IonsFromNeutralVPSSTP() :
|
|||
|
||||
//====================================================================================================================
|
||||
// Construct and initialize an IonsFromNeutralVPSSTP object
|
||||
// directly from an asci input file
|
||||
// directly from an ASCII input file
|
||||
/*
|
||||
* Working constructors
|
||||
*
|
||||
|
|
@ -451,7 +451,7 @@ IonsFromNeutralVPSSTP::getChemPotentials(doublereal* mu) const
|
|||
*
|
||||
* For this phase, the partial molar enthalpies are equal to the
|
||||
* standard state enthalpies modified by the derivative of the
|
||||
* molality-based activity coefficent wrt temperature
|
||||
* molality-based activity coefficient wrt temperature
|
||||
*
|
||||
* \f[
|
||||
* \bar h_k(T,P) = h^o_k(T,P) - R T^2 \frac{d \ln(\gamma_k)}{dT}
|
||||
|
|
@ -491,7 +491,7 @@ void IonsFromNeutralVPSSTP::getPartialMolarEnthalpies(doublereal* hbar) const
|
|||
*
|
||||
* For this phase, the partial molar enthalpies are equal to the
|
||||
* standard state enthalpies modified by the derivative of the
|
||||
* activity coefficent wrt temperature
|
||||
* activity coefficient wrt temperature
|
||||
*
|
||||
* \f[
|
||||
* \bar s_k(T,P) = s^o_k(T,P) - R T^2 \frac{d \ln(\gamma_k)}{dT}
|
||||
|
|
|
|||
|
|
@ -455,7 +455,7 @@ doublereal MargulesVPSSTP::cv_mole() const
|
|||
*
|
||||
* For this phase, the partial molar enthalpies are equal to the
|
||||
* standard state enthalpies modified by the derivative of the
|
||||
* molality-based activity coefficent wrt temperature
|
||||
* molality-based activity coefficient wrt temperature
|
||||
*
|
||||
* \f[
|
||||
* \bar h_k(T,P) = h^o_k(T,P) - R T^2 \frac{d \ln(\gamma_k)}{dT}
|
||||
|
|
@ -495,7 +495,7 @@ void MargulesVPSSTP::getPartialMolarEnthalpies(doublereal* hbar) const
|
|||
*
|
||||
* For this phase, the partial molar enthalpies are equal to the
|
||||
* standard state enthalpies modified by the derivative of the
|
||||
* activity coefficent wrt temperature
|
||||
* activity coefficient wrt temperature
|
||||
*
|
||||
* \f[
|
||||
* ??????????? \bar s_k(T,P) = s^o_k(T,P) - R T^2 \frac{d \ln(\gamma_k)}{dT}
|
||||
|
|
@ -534,7 +534,7 @@ void MargulesVPSSTP::getPartialMolarCp(doublereal* cpbar) const
|
|||
*
|
||||
* For this phase, the partial molar enthalpies are equal to the
|
||||
* standard state enthalpies modified by the derivative of the
|
||||
* activity coefficent wrt temperature
|
||||
* activity coefficient wrt temperature
|
||||
*
|
||||
* \f[
|
||||
* \bar s_k(T,P) = s^o_k(T,P) - R T^2 \frac{d \ln(\gamma_k)}{dT}
|
||||
|
|
|
|||
|
|
@ -39,7 +39,7 @@ MetalSHEelectrons::MetalSHEelectrons():
|
|||
}
|
||||
//====================================================================================================================
|
||||
// Create and initialize a MetalSHEelectrons ThermoPhase object
|
||||
// from an asci input file
|
||||
// from an ASCII input file
|
||||
/*
|
||||
* @param infile name of the input file
|
||||
* @param id name of the phase id in the file.
|
||||
|
|
|
|||
|
|
@ -40,7 +40,7 @@ MineralEQ3::MineralEQ3():
|
|||
}
|
||||
|
||||
// Create and initialize a MineralEQ3 ThermoPhase object
|
||||
// from an asci input file
|
||||
// from an ASCII input file
|
||||
/*
|
||||
* @param infile name of the input file
|
||||
* @param id name of the phase id in the file.
|
||||
|
|
|
|||
|
|
@ -455,7 +455,7 @@ doublereal MixedSolventElectrolyte::cv_mole() const
|
|||
*
|
||||
* For this phase, the partial molar enthalpies are equal to the
|
||||
* standard state enthalpies modified by the derivative of the
|
||||
* molality-based activity coefficent wrt temperature
|
||||
* molality-based activity coefficient wrt temperature
|
||||
*
|
||||
* \f[
|
||||
* \bar h_k(T,P) = h^o_k(T,P) - R T^2 \frac{d \ln(\gamma_k)}{dT}
|
||||
|
|
@ -495,7 +495,7 @@ void MixedSolventElectrolyte::getPartialMolarEnthalpies(doublereal* hbar) const
|
|||
*
|
||||
* For this phase, the partial molar enthalpies are equal to the
|
||||
* standard state enthalpies modified by the derivative of the
|
||||
* activity coefficent wrt temperature
|
||||
* activity coefficient wrt temperature
|
||||
*
|
||||
* \f[
|
||||
* ??????????? \bar s_k(T,P) = s^o_k(T,P) - R T^2 \frac{d \ln(\gamma_k)}{dT}
|
||||
|
|
@ -534,7 +534,7 @@ void MixedSolventElectrolyte::getPartialMolarCp(doublereal* cpbar) const
|
|||
*
|
||||
* For this phase, the partial molar enthalpies are equal to the
|
||||
* standard state enthalpies modified by the derivative of the
|
||||
* activity coefficent wrt temperature
|
||||
* activity coefficient wrt temperature
|
||||
*
|
||||
* \f[
|
||||
* \bar s_k(T,P) = s^o_k(T,P) - R T^2 \frac{d \ln(\gamma_k)}{dT}
|
||||
|
|
|
|||
|
|
@ -94,13 +94,13 @@ MixtureFugacityTP::operator=(const MixtureFugacityTP& b)
|
|||
m_s0_R = b.m_s0_R;
|
||||
/*
|
||||
* The VPSSMgr object contains shallow pointers. Whenever you have shallow
|
||||
* pointers, they have to be fixed up to point to the correct objects refering
|
||||
* pointers, they have to be fixed up to point to the correct objects referring
|
||||
* back to this ThermoPhase's properties.
|
||||
*/
|
||||
//m_VPSS_ptr->initAllPtrs(this, m_spthermo);
|
||||
/*
|
||||
* The PDSS objects contains shallow pointers. Whenever you have shallow
|
||||
* pointers, they have to be fixed up to point to the correct objects refering
|
||||
* pointers, they have to be fixed up to point to the correct objects referring
|
||||
* back to this ThermoPhase's properties. This function also sets m_VPSS_ptr
|
||||
* so it occurs after m_VPSS_ptr is set.
|
||||
*/
|
||||
|
|
|
|||
|
|
@ -352,7 +352,7 @@ void MolarityIonicVPSSTP::getElectrochemPotentials(doublereal* mu) const
|
|||
*
|
||||
* For this phase, the partial molar enthalpies are equal to the
|
||||
* standard state enthalpies modified by the derivative of the
|
||||
* molality-based activity coefficent wrt temperature
|
||||
* molality-based activity coefficient wrt temperature
|
||||
*
|
||||
* \f[
|
||||
* \bar h_k(T,P) = h^o_k(T,P) - R T^2 \frac{d \ln(\gamma_k)}{dT}
|
||||
|
|
@ -392,7 +392,7 @@ void MolarityIonicVPSSTP::getPartialMolarEnthalpies(doublereal* hbar) const
|
|||
*
|
||||
* For this phase, the partial molar enthalpies are equal to the
|
||||
* standard state enthalpies modified by the derivative of the
|
||||
* activity coefficent wrt temperature
|
||||
* activity coefficient wrt temperature
|
||||
*
|
||||
* \f[
|
||||
* ??????????? \bar s_k(T,P) = s^o_k(T,P) - R T^2 \frac{d \ln(\gamma_k)}{dT}
|
||||
|
|
@ -431,7 +431,7 @@ void MolarityIonicVPSSTP::getPartialMolarCp(doublereal* cpbar) const
|
|||
*
|
||||
* For this phase, the partial molar enthalpies are equal to the
|
||||
* standard state enthalpies modified by the derivative of the
|
||||
* activity coefficent wrt temperature
|
||||
* activity coefficient wrt temperature
|
||||
*
|
||||
* \f[
|
||||
* \bar s_k(T,P) = s^o_k(T,P) - R T^2 \frac{d \ln(\gamma_k)}{dT}
|
||||
|
|
|
|||
|
|
@ -577,7 +577,7 @@ protected:
|
|||
/*!
|
||||
* This map takes as its index, the species index in the phase.
|
||||
* It returns the position index within the group, where the
|
||||
* temperature polynomials for that species are storred.
|
||||
* temperature polynomials for that species are stored.
|
||||
*/
|
||||
mutable std::map<size_t, size_t> m_posInGroup_map;
|
||||
|
||||
|
|
|
|||
|
|
@ -467,7 +467,7 @@ doublereal PhaseCombo_Interaction::cv_mole() const
|
|||
*
|
||||
* For this phase, the partial molar enthalpies are equal to the
|
||||
* standard state enthalpies modified by the derivative of the
|
||||
* molality-based activity coefficent wrt temperature
|
||||
* molality-based activity coefficient wrt temperature
|
||||
*
|
||||
* \f[
|
||||
* \bar h_k(T,P) = h^o_k(T,P) - R T^2 \frac{d \ln(\gamma_k)}{dT}
|
||||
|
|
@ -506,7 +506,7 @@ void PhaseCombo_Interaction::getPartialMolarEnthalpies(doublereal* hbar) const
|
|||
*
|
||||
* For this phase, the partial molar enthalpies are equal to the
|
||||
* standard state enthalpies modified by the derivative of the
|
||||
* activity coefficent wrt temperature
|
||||
* activity coefficient wrt temperature
|
||||
*
|
||||
* \f[
|
||||
* ??????????? \bar s_k(T,P) = s^o_k(T,P) - R T^2 \frac{d \ln(\gamma_k)}{dT}
|
||||
|
|
@ -545,7 +545,7 @@ void PhaseCombo_Interaction::getPartialMolarCp(doublereal* cpbar) const
|
|||
*
|
||||
* For this phase, the partial molar enthalpies are equal to the
|
||||
* standard state enthalpies modified by the derivative of the
|
||||
* activity coefficent wrt temperature
|
||||
* activity coefficient wrt temperature
|
||||
*
|
||||
* \f[
|
||||
* \bar s_k(T,P) = s^o_k(T,P) - R T^2 \frac{d \ln(\gamma_k)}{dT}
|
||||
|
|
|
|||
|
|
@ -456,7 +456,7 @@ doublereal RedlichKisterVPSSTP::cv_mole() const
|
|||
*
|
||||
* For this phase, the partial molar enthalpies are equal to the
|
||||
* standard state enthalpies modified by the derivative of the
|
||||
* molality-based activity coefficent wrt temperature
|
||||
* molality-based activity coefficient wrt temperature
|
||||
*
|
||||
* \f[
|
||||
* \bar h_k(T,P) = h^o_k(T,P) - R T^2 \frac{d \ln(\gamma_k)}{dT}
|
||||
|
|
@ -496,7 +496,7 @@ void RedlichKisterVPSSTP::getPartialMolarEnthalpies(doublereal* hbar) const
|
|||
*
|
||||
* For this phase, the partial molar enthalpies are equal to the
|
||||
* standard state enthalpies modified by the derivative of the
|
||||
* activity coefficent wrt temperature
|
||||
* activity coefficient wrt temperature
|
||||
*
|
||||
* \f[
|
||||
* ??????????? \bar s_k(T,P) = s^o_k(T,P) - R T^2 \frac{d \ln(\gamma_k)}{dT}
|
||||
|
|
@ -535,7 +535,7 @@ void RedlichKisterVPSSTP::getPartialMolarCp(doublereal* cpbar) const
|
|||
*
|
||||
* For this phase, the partial molar enthalpies are equal to the
|
||||
* standard state enthalpies modified by the derivative of the
|
||||
* activity coefficent wrt temperature
|
||||
* activity coefficient wrt temperature
|
||||
*
|
||||
* \f[
|
||||
* \bar s_k(T,P) = s^o_k(T,P) - R T^2 \frac{d \ln(\gamma_k)}{dT}
|
||||
|
|
|
|||
|
|
@ -533,7 +533,7 @@ public:
|
|||
*
|
||||
* For this phase, the partial molar enthalpies are equal to the
|
||||
* standard state enthalpies modified by the derivative of the
|
||||
* molality-based activity coefficent wrt temperature
|
||||
* molality-based activity coefficient wrt temperature
|
||||
*
|
||||
* \f[
|
||||
* \bar h_k(T,P) = h^o_k(T,P) - R T^2 \frac{d \ln(\gamma_k)}{dT}
|
||||
|
|
@ -551,7 +551,7 @@ public:
|
|||
*
|
||||
* For this phase, the partial molar enthalpies are equal to the
|
||||
* standard state enthalpies modified by the derivative of the
|
||||
* activity coefficent wrt temperature
|
||||
* activity coefficient wrt temperature
|
||||
*
|
||||
* \f[
|
||||
* \bar s_k(T,P) = s^o_k(T,P) - R T^2 \frac{d \ln(\gamma_k)}{dT}
|
||||
|
|
@ -571,7 +571,7 @@ public:
|
|||
*
|
||||
* For this phase, the partial molar enthalpies are equal to the
|
||||
* standard state enthalpies modified by the derivative of the
|
||||
* activity coefficent wrt temperature
|
||||
* activity coefficient wrt temperature
|
||||
*
|
||||
* \f[
|
||||
* ???????????????
|
||||
|
|
|
|||
|
|
@ -484,7 +484,7 @@ doublereal RedlichKwongMFTP::logStandardConc(size_t k) const
|
|||
*
|
||||
* For EOS types other than cIdealSolidSolnPhase1, the default
|
||||
* kmol/m3 holds for standard concentration units. For
|
||||
* cIdealSolidSolnPhase0 type, the standard concentrtion is
|
||||
* cIdealSolidSolnPhase0 type, the standard concentration is
|
||||
* unitless.
|
||||
*/
|
||||
void RedlichKwongMFTP::getUnitsStandardConc(double* uA, int, int sizeUA) const
|
||||
|
|
|
|||
|
|
@ -577,7 +577,7 @@ protected:
|
|||
/*!
|
||||
* This map takes as its index, the species index in the phase.
|
||||
* It returns the position index within the group, where the
|
||||
* temperature polynomials for that species are storred.
|
||||
* temperature polynomials for that species are stored.
|
||||
*/
|
||||
mutable std::map<size_t, size_t> m_posInGroup_map;
|
||||
};
|
||||
|
|
|
|||
|
|
@ -36,7 +36,7 @@ StoichSubstanceSSTP::StoichSubstanceSSTP():
|
|||
}
|
||||
|
||||
// Create and initialize a StoichSubstanceSSTP ThermoPhase object
|
||||
// from an asci input file
|
||||
// from an ASCII input file
|
||||
/*
|
||||
* @param infile name of the input file
|
||||
* @param id name of the phase id in the file.
|
||||
|
|
@ -524,7 +524,7 @@ electrodeElectron::electrodeElectron():
|
|||
}
|
||||
|
||||
// Create and initialize a electrodeElectron ThermoPhase object
|
||||
// from an asci input file
|
||||
// from an ASCII input file
|
||||
/*
|
||||
* @param infile name of the input file
|
||||
* @param id name of the phase id in the file.
|
||||
|
|
|
|||
|
|
@ -102,13 +102,13 @@ VPStandardStateTP::operator=(const VPStandardStateTP& b)
|
|||
|
||||
/*
|
||||
* The VPSSMgr object contains shallow pointers. Whenever you have shallow
|
||||
* pointers, they have to be fixed up to point to the correct objects refering
|
||||
* pointers, they have to be fixed up to point to the correct objects referring
|
||||
* back to this ThermoPhase's properties.
|
||||
*/
|
||||
m_VPSS_ptr->initAllPtrs(this, m_spthermo);
|
||||
/*
|
||||
* The PDSS objects contains shallow pointers. Whenever you have shallow
|
||||
* pointers, they have to be fixed up to point to the correct objects refering
|
||||
* pointers, they have to be fixed up to point to the correct objects referring
|
||||
* back to this ThermoPhase's properties. This function also sets m_VPSS_ptr
|
||||
* so it occurs after m_VPSS_ptr is set.
|
||||
*/
|
||||
|
|
|
|||
|
|
@ -181,7 +181,7 @@ void AqueousTransport::getBinaryDiffCoeffs(const size_t ld, doublereal* const d)
|
|||
{
|
||||
update_T();
|
||||
|
||||
// if necessary, evaluate the binary diffusion coefficents
|
||||
// if necessary, evaluate the binary diffusion coefficients
|
||||
// from the polynomial fits
|
||||
if (!m_bindiff_ok) {
|
||||
updateDiff_T();
|
||||
|
|
|
|||
|
|
@ -757,7 +757,7 @@ void LiquidTransport::getBinaryDiffCoeffs(size_t ld, doublereal* d)
|
|||
"First argument does not correspond to number of species in model.\nDiff Coeff matrix may be misdimensioned");
|
||||
update_T();
|
||||
|
||||
// if necessary, evaluate the binary diffusion coefficents
|
||||
// if necessary, evaluate the binary diffusion coefficients
|
||||
// from the polynomial fits
|
||||
if (!m_diff_temp_ok) {
|
||||
updateDiff_T();
|
||||
|
|
|
|||
|
|
@ -307,7 +307,7 @@ doublereal MixTransport::viscosity()
|
|||
void MixTransport::getBinaryDiffCoeffs(const size_t ld, doublereal* const d)
|
||||
{
|
||||
update_T();
|
||||
// if necessary, evaluate the binary diffusion coefficents from the polynomial fits
|
||||
// if necessary, evaluate the binary diffusion coefficients from the polynomial fits
|
||||
if (!m_bindiff_ok) {
|
||||
updateDiff_T();
|
||||
}
|
||||
|
|
|
|||
|
|
@ -269,7 +269,7 @@ doublereal MultiTransport::viscosity()
|
|||
|
||||
void MultiTransport::getBinaryDiffCoeffs(size_t ld, doublereal* d)
|
||||
{
|
||||
// if necessary, evaluate the binary diffusion coefficents
|
||||
// if necessary, evaluate the binary diffusion coefficients
|
||||
// from the polynomial fits
|
||||
updateDiff_T();
|
||||
|
||||
|
|
@ -1038,7 +1038,7 @@ void MultiTransport::_update_thermal_T()
|
|||
* HKM Exploratory comment:
|
||||
* The translational component is 1.5
|
||||
* The rotational component is 1.0 for a linear molecule and 1.5 for a nonlinear molecule
|
||||
* and zero for a monotomic.
|
||||
* and zero for a monatomic.
|
||||
* Chemkin has traditionally subtracted 1.5 here (SAND86-8246).
|
||||
* The original Dixon-Lewis paper subtracted 1.5 here.
|
||||
*/
|
||||
|
|
|
|||
|
|
@ -463,7 +463,7 @@ void SimpleTransport::getBinaryDiffCoeffs(size_t ld, doublereal* d)
|
|||
double bdiff;
|
||||
update_T();
|
||||
|
||||
// if necessary, evaluate the species diffusion coefficents
|
||||
// if necessary, evaluate the species diffusion coefficients
|
||||
// from the polynomial fits
|
||||
if (!m_diff_temp_ok) {
|
||||
updateDiff_T();
|
||||
|
|
|
|||
|
|
@ -45,7 +45,7 @@ int main(int argc, char** argv)
|
|||
std::auto_ptr<Transport> tran(newTransportMgr("Mix", &g));
|
||||
vector_fp Gvalues(nsp, 0.0);
|
||||
|
||||
printf("Viscoscity and thermal Cond vs. T\n");
|
||||
printf("Viscosity and thermal Cond vs. T\n");
|
||||
for (int k = 0; k < 40; k++) {
|
||||
double T1 = 400. + 200. * k;
|
||||
g.setState_TPX(T1, pres, &Xset[0]);
|
||||
|
|
|
|||
|
|
@ -4,7 +4,7 @@ Comparisons of H2 calculated via several equivalent classes:
|
|||
cp/R: 3.8823 3.8823 3.8823
|
||||
H/RT: 2.91015 2.91015 2.91015
|
||||
S/R: 21.5255 21.5255 21.5255
|
||||
Viscoscity and thermal Cond vs. T
|
||||
Viscosity and thermal Cond vs. T
|
||||
400 1.0869e-05 0.2291
|
||||
600 1.4145e-05 0.29844
|
||||
800 1.7036e-05 0.36333
|
||||
|
|
|
|||
|
|
@ -169,7 +169,7 @@ Chemical Potentials: (J/kmol)
|
|||
--- CO2 ( 0) replaces H2 ( 0) as component 6
|
||||
--- Total number of components found = 7 (ne = 11)
|
||||
-----------------------------------------------------------------------------
|
||||
--- Subroutine elem_rearrange() called to check stoich. coefficent matrix
|
||||
--- Subroutine elem_rearrange() called to check stoich. coefficient matrix
|
||||
--- and to rearrange the element ordering once
|
||||
--- N ( 8) replaces Fe( 0) as element 3
|
||||
--- Na( 5) replaces Si( 0) as element 4
|
||||
|
|
@ -262,7 +262,7 @@ VCS CALCULATION METHOD
|
|||
--- 12 OH- | 0| -0.00 -0.00 -1.00 0.00 1.00 0.00 0.00
|
||||
-----------------------------------------------------------------------------
|
||||
--- Subroutine vcs_deltag called for all noncomponents
|
||||
--- Species Status decision is reavaluated: All species are minor except for:
|
||||
--- Species Status decision is reevaluated: All species are minor except for:
|
||||
--- Major Species : NaCl(S)
|
||||
--- Major Species : N2
|
||||
--- Major Species : H2O(L)
|
||||
|
|
@ -275,7 +275,7 @@ VCS CALCULATION METHOD
|
|||
--- Zeroed Species in an active MS phase (tmp): H2O
|
||||
--- Zeroed Species in an active MS phase (tmp): NaCl
|
||||
--- Zeroed Species in an active MS phase (tmp): Cl-
|
||||
--- OH is prevented from popping into existance because a needed component to be consumed, O2, has a zero mole number
|
||||
--- OH is prevented from popping into existence because a needed component to be consumed, O2, has a zero mole number
|
||||
--- Zeroed Species in an active MS phase (Stoich Constraint): OH
|
||||
--- Zeroed Species in an active MS phase (tmp): OH-
|
||||
---
|
||||
|
|
@ -397,7 +397,7 @@ VCS CALCULATION METHOD
|
|||
--- 12 O2 | 5.5e-27| -0.00 -0.00 -2.00 0.00 0.00 2.00 -0.00
|
||||
-----------------------------------------------------------------------------
|
||||
--- Subroutine vcs_deltag called for all noncomponents
|
||||
--- Species Status decision is reavaluated: All species are minor except for:
|
||||
--- Species Status decision is reevaluated: All species are minor except for:
|
||||
--- Major Species : NaCl(S)
|
||||
--- Major Species : N2
|
||||
--- Major Species : H2O(L)
|
||||
|
|
@ -525,7 +525,7 @@ VCS CALCULATION METHOD
|
|||
--- 12 O2 | 5.5e-28| -0.00 -0.00 2.00 0.00 0.00 -4.00 0.00
|
||||
-----------------------------------------------------------------------------
|
||||
--- Subroutine vcs_deltag called for all noncomponents
|
||||
--- Species Status decision is reavaluated: All species are minor except for:
|
||||
--- Species Status decision is reevaluated: All species are minor except for:
|
||||
--- Major Species : NaCl(S)
|
||||
--- Major Species : N2
|
||||
--- Major Species : H2O(L)
|
||||
|
|
|
|||
|
|
@ -162,7 +162,7 @@ Chemical Potentials: (J/kmol)
|
|||
--- CO2 ( 0) replaces H2 ( 0) as component 6
|
||||
--- Total number of components found = 7 (ne = 11)
|
||||
-----------------------------------------------------------------------------
|
||||
--- Subroutine elem_rearrange() called to check stoich. coefficent matrix
|
||||
--- Subroutine elem_rearrange() called to check stoich. coefficient matrix
|
||||
--- and to rearrange the element ordering once
|
||||
--- N ( 8) replaces Fe( 0) as element 3
|
||||
--- Na( 5) replaces Si( 0) as element 4
|
||||
|
|
|
|||
|
|
@ -175,7 +175,7 @@ int main(int argc, char** argv)
|
|||
printf(" %15s %13.5g\n", sss.c_str(), thermDiff[k]);
|
||||
}
|
||||
|
||||
printf("Viscoscity and thermal Cond vs. T\n");
|
||||
printf("Viscosity and thermal Cond vs. T\n");
|
||||
for (k = 0; k < 10; k++) {
|
||||
T1 = 400. + 100. * k;
|
||||
g.setState_TPX(T1, pres, DATA_PTR(Xset));
|
||||
|
|
|
|||
|
|
@ -160,7 +160,7 @@
|
|||
C3H8 0
|
||||
CH2CHO 0
|
||||
CH3CHO 0
|
||||
Viscoscity and thermal Cond vs. T
|
||||
Viscosity and thermal Cond vs. T
|
||||
400 1.9759e-05 0.064074
|
||||
500 2.3573e-05 0.076325
|
||||
600 2.7136e-05 0.088306
|
||||
|
|
|
|||
|
|
@ -184,7 +184,7 @@ int main(int argc, char** argv)
|
|||
printf(" %15s %13.5g\n", sss.c_str(), ddd);
|
||||
}
|
||||
|
||||
printf("Viscoscity and thermal Cond vs. T\n");
|
||||
printf("Viscosity and thermal Cond vs. T\n");
|
||||
for (k = 0; k < 10; k++) {
|
||||
T1 = 400. + 100. * k;
|
||||
g.setState_TPX(T1, pres, DATA_PTR(Xset));
|
||||
|
|
|
|||
|
|
@ -160,7 +160,7 @@
|
|||
C3H8 0
|
||||
CH2CHO 0
|
||||
CH3CHO 0
|
||||
Viscoscity and thermal Cond vs. T
|
||||
Viscosity and thermal Cond vs. T
|
||||
400 1.9759e-05 0.063366
|
||||
500 2.3573e-05 0.075886
|
||||
600 2.7136e-05 0.087831
|
||||
|
|
|
|||
Loading…
Add table
Reference in a new issue