Cantera  2.5.1
RedlichKwongMFTP.h
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1 //! @file RedlichKwongMFTP.h
2 
3 // This file is part of Cantera. See License.txt in the top-level directory or
4 // at https://cantera.org/license.txt for license and copyright information.
5 
6 #ifndef CT_REDLICHKWONGMFTP_H
7 #define CT_REDLICHKWONGMFTP_H
8 
9 #include "MixtureFugacityTP.h"
10 #include "cantera/base/Array.h"
11 
12 namespace Cantera
13 {
14 /**
15  * Implementation of a multi-species Redlich-Kwong equation of state
16  *
17  * @ingroup thermoprops
18  */
20 {
21 public:
22  //! @name Constructors and Duplicators
23  //! @{
24 
25  //! Base constructor.
27 
28  //! Construct a RedlichKwongMFTP object from an input file
29  /*!
30  * @param inputFile Name of the input file containing the phase definition
31  * @param id name (ID) of the phase in the input file. If empty, the
32  * first phase definition in the input file will be used.
33  */
34  RedlichKwongMFTP(const std::string& infile, const std::string& id="");
35 
36  //! Construct and initialize a RedlichKwongMFTP object directly from an
37  //! XML database
38  /*!
39  * @param phaseRef XML phase node containing the description of the phase
40  * @param id id attribute containing the name of the phase. (default
41  * is the empty string)
42  *
43  * @deprecated The XML input format is deprecated and will be removed in
44  * Cantera 3.0.
45  */
46  RedlichKwongMFTP(XML_Node& phaseRef, const std::string& id = "");
47 
48  virtual std::string type() const {
49  return "RedlichKwong";
50  }
51 
52  //! @name Molar Thermodynamic properties
53  //! @{
54 
55  virtual doublereal enthalpy_mole() const;
56  virtual doublereal entropy_mole() const;
57  virtual doublereal cp_mole() const;
58  virtual doublereal cv_mole() const;
59 
60  //! @}
61  //! @name Mechanical Properties
62  //! @{
63 
64  //! Return the thermodynamic pressure (Pa).
65  /*!
66  * Since the mass density, temperature, and mass fractions are stored,
67  * this method uses these values to implement the
68  * mechanical equation of state \f$ P(T, \rho, Y_1, \dots, Y_K) \f$.
69  *
70  * \f[
71  * P = \frac{RT}{v-b_{mix}} - \frac{a_{mix}}{T^{0.5} v \left( v + b_{mix} \right) }
72  * \f]
73  */
74  virtual doublereal pressure() const;
75 
76  // @}
77 
78 protected:
79  /**
80  * Calculate the density of the mixture using the partial molar volumes and
81  * mole fractions as input
82  *
83  * The formula for this is
84  *
85  * \f[
86  * \rho = \frac{\sum_k{X_k W_k}}{\sum_k{X_k V_k}}
87  * \f]
88  *
89  * where \f$X_k\f$ are the mole fractions, \f$W_k\f$ are the molecular
90  * weights, and \f$V_k\f$ are the pure species molar volumes.
91  *
92  * Note, the basis behind this formula is that in an ideal solution the
93  * partial molar volumes are equal to the species standard state molar
94  * volumes. The species molar volumes may be functions of temperature and
95  * pressure.
96  */
97  virtual void calcDensity();
98 
99  virtual void setTemperature(const doublereal temp);
100  virtual void compositionChanged();
101 
102 public:
103  virtual void getActivityConcentrations(doublereal* c) const;
104 
105  //! Returns the standard concentration \f$ C^0_k \f$, which is used to
106  //! normalize the generalized concentration.
107  /*!
108  * This is defined as the concentration by which the generalized
109  * concentration is normalized to produce the activity. In many cases, this
110  * quantity will be the same for all species in a phase. Since the activity
111  * for an ideal gas mixture is simply the mole fraction, for an ideal gas
112  * \f$ C^0_k = P/\hat R T \f$.
113  *
114  * @param k Optional parameter indicating the species. The default is to
115  * assume this refers to species 0.
116  * @return
117  * Returns the standard Concentration in units of m3 kmol-1.
118  */
119  virtual doublereal standardConcentration(size_t k=0) const;
120 
121  //! Get the array of non-dimensional activity coefficients at the current
122  //! solution temperature, pressure, and solution concentration.
123  /*!
124  * For all objects with the Mixture Fugacity approximation, we define the
125  * standard state as an ideal gas at the current temperature and pressure of
126  * the solution. The activities are based on this standard state.
127  *
128  * @param ac Output vector of activity coefficients. Length: m_kk.
129  */
130  virtual void getActivityCoefficients(doublereal* ac) const;
131 
132  /// @name Partial Molar Properties of the Solution
133  //@{
134 
135  //! Get the array of non-dimensional species chemical potentials.
136  //! These are partial molar Gibbs free energies.
137  /*!
138  * \f$ \mu_k / \hat R T \f$.
139  * Units: unitless
140  *
141  * We close the loop on this function, here, calling getChemPotentials() and
142  * then dividing by RT. No need for child classes to handle.
143  *
144  * @param mu Output vector of non-dimensional species chemical potentials
145  * Length: m_kk.
146  */
147  virtual void getChemPotentials_RT(doublereal* mu) const;
148 
149  virtual void getChemPotentials(doublereal* mu) const;
150  virtual void getPartialMolarEnthalpies(doublereal* hbar) const;
151  virtual void getPartialMolarEntropies(doublereal* sbar) const;
152  virtual void getPartialMolarIntEnergies(doublereal* ubar) const;
153  virtual void getPartialMolarCp(doublereal* cpbar) const;
154  virtual void getPartialMolarVolumes(doublereal* vbar) const;
155 
156  //@}
157  /// @name Critical State Properties.
158  //@{
159 
160  virtual doublereal critTemperature() const;
161  virtual doublereal critPressure() const;
162  virtual doublereal critVolume() const;
163  virtual doublereal critCompressibility() const;
164  virtual doublereal critDensity() const;
165 
166 public:
167  //@}
168  //! @name Initialization Methods - For Internal use
169  /*!
170  * The following methods are used in the process of constructing
171  * the phase and setting its parameters from a specification in an
172  * input file. They are not normally used in application programs.
173  * To see how they are used, see importPhase().
174  */
175  //@{
176 
177  virtual bool addSpecies(shared_ptr<Species> spec);
178  virtual void setParametersFromXML(const XML_Node& thermoNode);
179  virtual void initThermoXML(XML_Node& phaseNode, const std::string& id);
180  virtual void initThermo();
181 
182  //! Retrieve a and b coefficients by looking up tabulated critical parameters
183  /*!
184  * If pureFluidParameters are not provided for any species in the phase,
185  * consult the critical properties tabulated in /thermo/critProperties.xml.
186  * If the species is found there, calculate pure fluid parameters a_k and b_k as:
187  * \f[ a_k = 0.4278*R**2*T_c^2.5/P_c \f]
188  *
189  * and:
190  * \f[ b_k = 0.08664*R*T_c/P_c \f]
191  *
192  * @param iName Name of the species
193  */
194  virtual std::vector<double> getCoeff(const std::string& iName);
195 
196  //! Set the pure fluid interaction parameters for a species
197  /*!
198  * The "a" parameter for species *i* in the Redlich-Kwong model is assumed
199  * to be a linear function of temperature:
200  * \f[ a = a_0 + a_1 T \f]
201  *
202  * @param species Name of the species
203  * @param a0 constant term in the expression for the "a" parameter
204  * of the specified species [Pa-m^6/kmol^2]
205  * @param a1 temperature-proportional term in the expression for the
206  * "a" parameter of the specified species [Pa-m^6/kmol^2/K]
207  * @param b "b" parameter in the Redlich-Kwong model [m^3/kmol]
208  */
209  void setSpeciesCoeffs(const std::string& species, double a0, double a1,
210  double b);
211 
212  //! Set values for the interaction parameter between two species
213  /*!
214  * The "a" parameter for interactions between species *i* and *j* is
215  * assumed by default to be computed as:
216  * \f[ a_{ij} = \sqrt(a_{i,0} a_{j,0}) + \sqrt(a_{i,1} a_{j,1}) T \f]
217  *
218  * This function overrides the defaults with the specified parameters:
219  * \f[ a_{ij} = a_{ij,0} + a_{ij,1} T \f]
220  *
221  * @param species_i Name of one species
222  * @param species_j Name of the other species
223  * @param a0 constant term in the "a" expression [Pa-m^6/kmol^2]
224  * @param a1 temperature-proportional term in the "a" expression
225  * [Pa-m^6/kmol^2/K]
226  */
227  void setBinaryCoeffs(const std::string& species_i,
228  const std::string& species_j, double a0, double a1);
229 
230 private:
231  //! Read the pure species RedlichKwong input parameters
232  /*!
233  * @param pureFluidParam XML_Node for the pure fluid parameters
234  */
235  void readXMLPureFluid(XML_Node& pureFluidParam);
236 
237  //! Read the cross species RedlichKwong input parameters
238  /*!
239  * @param pureFluidParam XML_Node for the cross fluid parameters
240  */
241  void readXMLCrossFluid(XML_Node& pureFluidParam);
242 
243  // @}
244 
245 protected:
246  // Special functions inherited from MixtureFugacityTP
247  virtual doublereal sresid() const;
248  virtual doublereal hresid() const;
249 
250 public:
251  virtual doublereal liquidVolEst(doublereal TKelvin, doublereal& pres) const;
252  virtual doublereal densityCalc(doublereal TKelvin, doublereal pressure, int phase, doublereal rhoguess);
253 
254  virtual doublereal densSpinodalLiquid() const;
255  virtual doublereal densSpinodalGas() const;
256  virtual doublereal pressureCalc(doublereal TKelvin, doublereal molarVol) const;
257  virtual doublereal dpdVCalc(doublereal TKelvin, doublereal molarVol, doublereal& presCalc) const;
258 
259  //! Calculate dpdV and dpdT at the current conditions
260  /*!
261  * These are stored internally.
262  */
263  void pressureDerivatives() const;
264 
265  virtual void updateMixingExpressions();
266 
267  //! Update the a and b parameters
268  /*!
269  * The a and the b parameters depend on the mole fraction and the
270  * temperature. This function updates the internal numbers based on the
271  * state of the object.
272  */
273  void updateAB();
274 
275  //! Calculate the a and the b parameters given the temperature
276  /*!
277  * This function doesn't change the internal state of the object, so it is a
278  * const function. It does use the stored mole fractions in the object.
279  *
280  * @param temp Temperature (TKelvin)
281  * @param aCalc (output) Returns the a value
282  * @param bCalc (output) Returns the b value.
283  */
284  void calculateAB(doublereal temp, doublereal& aCalc, doublereal& bCalc) const;
285 
286  // Special functions not inherited from MixtureFugacityTP
287 
288  doublereal da_dt() const;
289 
290  void calcCriticalConditions(doublereal a, doublereal b, doublereal a0_coeff, doublereal aT_coeff,
291  doublereal& pc, doublereal& tc, doublereal& vc) const;
292 
293  //! Solve the cubic equation of state
294  /*!
295  * The R-K equation of state may be solved via the following formula:
296  *
297  * V**3 - V**2(RT/P) - V(RTb/P - a/(P T**.5) + b*b) - (a b / (P T**.5)) = 0
298  *
299  * Returns the number of solutions found. If it only finds the liquid
300  * branch solution, it will return a -1 or a -2 instead of 1 or 2. If it
301  * returns 0, then there is an error.
302  */
303  int NicholsSolve(double TKelvin, double pres, doublereal a, doublereal b,
304  doublereal Vroot[3]) const;
305 
306 protected:
307  //! Form of the temperature parameterization
308  /*!
309  * - 0 = There is no temperature parameterization of a or b
310  * - 1 = The a_ij parameter is a linear function of the temperature
311  */
313 
314  //! Value of b in the equation of state
315  /*!
316  * m_b is a function of the temperature and the mole fraction.
317  */
318  doublereal m_b_current;
319 
320  //! Value of a in the equation of state
321  /*!
322  * a_b is a function of the temperature and the mole fraction.
323  */
324  doublereal m_a_current;
325 
326  vector_fp a_vec_Curr_;
327  vector_fp b_vec_Curr_;
328 
329  Array2D a_coeff_vec;
330 
331  int NSolns_;
332 
333  doublereal Vroot_[3];
334 
335  //! Temporary storage - length = m_kk.
336  mutable vector_fp m_pp;
337 
338  //! Temporary storage - length = m_kk.
339  mutable vector_fp m_tmpV;
340 
341  // Partial molar volumes of the species
342  mutable vector_fp m_partialMolarVolumes;
343 
344  //! The derivative of the pressure wrt the volume
345  /*!
346  * Calculated at the current conditions. temperature and mole number kept
347  * constant
348  */
349  mutable doublereal dpdV_;
350 
351  //! The derivative of the pressure wrt the temperature
352  /*!
353  * Calculated at the current conditions. Total volume and mole number kept
354  * constant
355  */
356  mutable doublereal dpdT_;
357 
358  //! Vector of derivatives of pressure wrt mole number
359  /*!
360  * Calculated at the current conditions. Total volume, temperature and
361  * other mole number kept constant
362  */
363  mutable vector_fp dpdni_;
364 
365 public:
366  //! Omega constant for a -> value of a in terms of critical properties
367  /*!
368  * this was calculated from a small nonlinear solve
369  */
370  static const doublereal omega_a;
371 
372  //! Omega constant for b
373  static const doublereal omega_b;
374 
375  //! Omega constant for the critical molar volume
376  static const doublereal omega_vc;
377 };
378 }
379 
380 #endif
Cantera::RedlichKwongMFTP::readXMLCrossFluid
void readXMLCrossFluid(XML_Node &pureFluidParam)
Read the cross species RedlichKwong input parameters.
Definition: RedlichKwongMFTP.cpp:774
Cantera::MixtureFugacityTP
Definition: MixtureFugacityTP.h:74
Cantera::RedlichKwongMFTP::m_a_current
doublereal m_a_current
Value of a in the equation of state.
Definition: RedlichKwongMFTP.h:324
Cantera::RedlichKwongMFTP::setBinaryCoeffs
void setBinaryCoeffs(const std::string &species_i, const std::string &species_j, double a0, double a1)
Set values for the interaction parameter between two species.
Definition: RedlichKwongMFTP.cpp:102
Cantera::RedlichKwongMFTP::critCompressibility
virtual doublereal critCompressibility() const
Critical compressibility (unitless).
Definition: RedlichKwongMFTP.cpp:488
Cantera::RedlichKwongMFTP::initThermo
virtual void initThermo()
Initialize the ThermoPhase object after all species have been set up.
Definition: RedlichKwongMFTP.cpp:612
Cantera::RedlichKwongMFTP::sresid
virtual doublereal sresid() const
Calculate the deviation terms for the total entropy of the mixture from the ideal gas mixture.
Definition: RedlichKwongMFTP.cpp:813
Cantera::Array2D
A class for 2D arrays stored in column-major (Fortran-compatible) form.
Definition: Array.h:31
Cantera::RedlichKwongMFTP::dpdV_
doublereal dpdV_
The derivative of the pressure wrt the volume.
Definition: RedlichKwongMFTP.h:349
Cantera::RedlichKwongMFTP::pressureCalc
virtual doublereal pressureCalc(doublereal TKelvin, doublereal molarVol) const
Calculate the pressure given the temperature and the molar volume.
Definition: RedlichKwongMFTP.cpp:982
Cantera::RedlichKwongMFTP::critPressure
virtual doublereal critPressure() const
Critical pressure (Pa).
Definition: RedlichKwongMFTP.cpp:456
Cantera::RedlichKwongMFTP::getPartialMolarEnthalpies
virtual void getPartialMolarEnthalpies(doublereal *hbar) const
Returns an array of partial molar enthalpies for the species in the mixture.
Definition: RedlichKwongMFTP.cpp:299
Cantera::RedlichKwongMFTP::getPartialMolarVolumes
virtual void getPartialMolarVolumes(doublereal *vbar) const
Return an array of partial molar volumes for the species in the mixture.
Definition: RedlichKwongMFTP.cpp:407
Cantera::RedlichKwongMFTP::getChemPotentials_RT
virtual void getChemPotentials_RT(doublereal *mu) const
Get the array of non-dimensional species chemical potentials.
Definition: RedlichKwongMFTP.cpp:257
Cantera::RedlichKwongMFTP::RedlichKwongMFTP
RedlichKwongMFTP()
Base constructor.
Definition: RedlichKwongMFTP.cpp:25
Cantera::RedlichKwongMFTP::densityCalc
virtual doublereal densityCalc(doublereal TKelvin, doublereal pressure, int phase, doublereal rhoguess)
Calculates the density given the temperature and the pressure and a guess at the density.
Definition: RedlichKwongMFTP.cpp:876
Cantera::RedlichKwongMFTP::pressure
virtual doublereal pressure() const
Return the thermodynamic pressure (Pa).
Definition: RedlichKwongMFTP.cpp:175
Cantera::RedlichKwongMFTP::dpdT_
doublereal dpdT_
The derivative of the pressure wrt the temperature.
Definition: RedlichKwongMFTP.h:356
Cantera::RedlichKwongMFTP::critDensity
virtual doublereal critDensity() const
Critical density (kg/m3).
Definition: RedlichKwongMFTP.cpp:504
Cantera::RedlichKwongMFTP::getActivityCoefficients
virtual void getActivityCoefficients(doublereal *ac) const
Get the array of non-dimensional activity coefficients at the current solution temperature,...
Definition: RedlichKwongMFTP.cpp:225
Cantera::RedlichKwongMFTP::calcDensity
virtual void calcDensity()
Calculate the density of the mixture using the partial molar volumes and mole fractions as input.
Definition: RedlichKwongMFTP.cpp:186
Cantera::RedlichKwongMFTP::omega_vc
static const doublereal omega_vc
Omega constant for the critical molar volume.
Definition: RedlichKwongMFTP.h:376
Cantera::RedlichKwongMFTP::type
virtual std::string type() const
String indicating the thermodynamic model implemented.
Definition: RedlichKwongMFTP.h:48
Cantera::RedlichKwongMFTP::omega_a
static const doublereal omega_a
Omega constant for a -> value of a in terms of critical properties.
Definition: RedlichKwongMFTP.h:370
Cantera::RedlichKwongMFTP::compositionChanged
virtual void compositionChanged()
Apply changes to the state which are needed after the composition changes.
Definition: RedlichKwongMFTP.cpp:205
Array.h
Cantera::vector_fp
std::vector< double > vector_fp
Turn on the use of stl vectors for the basic array type within cantera Vector of doubles.
Definition: ct_defs.h:180
Cantera::RedlichKwongMFTP::critTemperature
virtual doublereal critTemperature() const
Critical temperature (K).
Definition: RedlichKwongMFTP.cpp:440
Cantera::RedlichKwongMFTP::getPartialMolarEntropies
virtual void getPartialMolarEntropies(doublereal *sbar) const
Returns an array of partial molar entropies of the species in the solution.
Definition: RedlichKwongMFTP.cpp:344
Cantera::RedlichKwongMFTP::dpdni_
vector_fp dpdni_
Vector of derivatives of pressure wrt mole number.
Definition: RedlichKwongMFTP.h:363
Cantera::RedlichKwongMFTP::m_b_current
doublereal m_b_current
Value of b in the equation of state.
Definition: RedlichKwongMFTP.h:318
Cantera::RedlichKwongMFTP::setTemperature
virtual void setTemperature(const doublereal temp)
Set the temperature of the phase.
Definition: RedlichKwongMFTP.cpp:198
Cantera::RedlichKwongMFTP::omega_b
static const doublereal omega_b
Omega constant for b.
Definition: RedlichKwongMFTP.h:373
Cantera::RedlichKwongMFTP::enthalpy_mole
virtual doublereal enthalpy_mole() const
Molar enthalpy. Units: J/kmol.
Definition: RedlichKwongMFTP.cpp:128
Cantera::RedlichKwongMFTP::cp_mole
virtual doublereal cp_mole() const
Molar heat capacity at constant pressure. Units: J/kmol/K.
Definition: RedlichKwongMFTP.cpp:145
MixtureFugacityTP.h
Cantera::RedlichKwongMFTP::calculateAB
void calculateAB(doublereal temp, doublereal &aCalc, doublereal &bCalc) const
Calculate the a and the b parameters given the temperature.
Definition: RedlichKwongMFTP.cpp:1060
Cantera::RedlichKwongMFTP::m_tmpV
vector_fp m_tmpV
Temporary storage - length = m_kk.
Definition: RedlichKwongMFTP.h:339
Cantera::RedlichKwongMFTP::m_pp
vector_fp m_pp
Temporary storage - length = m_kk.
Definition: RedlichKwongMFTP.h:336
Cantera::RedlichKwongMFTP::NicholsSolve
int NicholsSolve(double TKelvin, double pres, doublereal a, doublereal b, doublereal Vroot[3]) const
Solve the cubic equation of state.
Definition: RedlichKwongMFTP.cpp:1141
Cantera::RedlichKwongMFTP::entropy_mole
virtual doublereal entropy_mole() const
Molar entropy. Units: J/kmol/K.
Definition: RedlichKwongMFTP.cpp:136
Cantera::RedlichKwongMFTP::updateAB
void updateAB()
Update the a and b parameters.
Definition: RedlichKwongMFTP.cpp:1023
Cantera::RedlichKwongMFTP::getPartialMolarCp
virtual void getPartialMolarCp(doublereal *cpbar) const
Return an array of partial molar heat capacities for the species in the mixture.
Definition: RedlichKwongMFTP.cpp:401
Cantera::RedlichKwongMFTP::getChemPotentials
virtual void getChemPotentials(doublereal *mu) const
Get the species chemical potentials. Units: J/kmol.
Definition: RedlichKwongMFTP.cpp:265
Cantera::XML_Node
Class XML_Node is a tree-based representation of the contents of an XML file.
Definition: xml.h:103
Cantera::RedlichKwongMFTP::dpdVCalc
virtual doublereal dpdVCalc(doublereal TKelvin, doublereal molarVol, doublereal &presCalc) const
Calculate the pressure and the pressure derivative given the temperature and the molar volume.
Definition: RedlichKwongMFTP.cpp:990
Cantera::RedlichKwongMFTP::densSpinodalGas
virtual doublereal densSpinodalGas() const
Return the value of the density at the gas spinodal point (on the gas side) for the current temperatu...
Definition: RedlichKwongMFTP.cpp:960
Cantera::RedlichKwongMFTP::pressureDerivatives
void pressureDerivatives() const
Calculate dpdV and dpdT at the current conditions.
Definition: RedlichKwongMFTP.cpp:1003
Cantera::RedlichKwongMFTP::critVolume
virtual doublereal critVolume() const
Critical volume (m3/kmol).
Definition: RedlichKwongMFTP.cpp:472
Cantera::RedlichKwongMFTP::hresid
virtual doublereal hresid() const
Calculate the deviation terms for the total enthalpy of the mixture from the ideal gas mixture.
Definition: RedlichKwongMFTP.cpp:829
Cantera::RedlichKwongMFTP::getCoeff
virtual std::vector< double > getCoeff(const std::string &iName)
Retrieve a and b coefficients by looking up tabulated critical parameters.
Definition: RedlichKwongMFTP.cpp:665
Cantera::RedlichKwongMFTP::getActivityConcentrations
virtual void getActivityConcentrations(doublereal *c) const
This method returns an array of generalized concentrations.
Definition: RedlichKwongMFTP.cpp:211
Cantera::RedlichKwongMFTP::initThermoXML
virtual void initThermoXML(XML_Node &phaseNode, const std::string &id)
Import and initialize a ThermoPhase object using an XML tree.
Definition: RedlichKwongMFTP.cpp:540
Cantera::RedlichKwongMFTP::setParametersFromXML
virtual void setParametersFromXML(const XML_Node &thermoNode)
Set equation of state parameter values from XML entries.
Definition: RedlichKwongMFTP.cpp:807
Cantera::RedlichKwongMFTP::readXMLPureFluid
void readXMLPureFluid(XML_Node &pureFluidParam)
Read the pure species RedlichKwong input parameters.
Definition: RedlichKwongMFTP.cpp:736
Cantera::RedlichKwongMFTP::setSpeciesCoeffs
void setSpeciesCoeffs(const std::string &species, double a0, double a1, double b)
Set the pure fluid interaction parameters for a species.
Definition: RedlichKwongMFTP.cpp:60
Cantera::RedlichKwongMFTP::standardConcentration
virtual doublereal standardConcentration(size_t k=0) const
Returns the standard concentration , which is used to normalize the generalized concentration.
Definition: RedlichKwongMFTP.cpp:219
Cantera::RedlichKwongMFTP::getPartialMolarIntEnergies
virtual void getPartialMolarIntEnergies(doublereal *ubar) const
Return an array of partial molar internal energies for the species in the mixture.
Definition: RedlichKwongMFTP.cpp:395
Cantera::Phase::species
shared_ptr< Species > species(const std::string &name) const
Return the Species object for the named species.
Definition: Phase.cpp:980
Cantera
Namespace for the Cantera kernel.
Definition: AnyMap.cpp:263
Cantera::RedlichKwongMFTP::liquidVolEst
virtual doublereal liquidVolEst(doublereal TKelvin, doublereal &pres) const
Estimate for the molar volume of the liquid.
Definition: RedlichKwongMFTP.cpp:844
Cantera::RedlichKwongMFTP::addSpecies
virtual bool addSpecies(shared_ptr< Species > spec)
Definition: RedlichKwongMFTP.cpp:521
Cantera::RedlichKwongMFTP::m_formTempParam
int m_formTempParam
Form of the temperature parameterization.
Definition: RedlichKwongMFTP.h:312
Cantera::RedlichKwongMFTP::cv_mole
virtual doublereal cv_mole() const
Molar heat capacity at constant volume. Units: J/kmol/K.
Definition: RedlichKwongMFTP.cpp:161
Cantera::RedlichKwongMFTP::densSpinodalLiquid
virtual doublereal densSpinodalLiquid() const
Return the value of the density at the liquid spinodal point (on the liquid side) for the current tem...
Definition: RedlichKwongMFTP.cpp:938
Cantera::RedlichKwongMFTP
Implementation of a multi-species Redlich-Kwong equation of state.
Definition: RedlichKwongMFTP.h:19