diff --git a/include/cantera/base/ctexceptions.h b/include/cantera/base/ctexceptions.h index 00989ba61..8099c545a 100644 --- a/include/cantera/base/ctexceptions.h +++ b/include/cantera/base/ctexceptions.h @@ -55,7 +55,7 @@ namespace Cantera * preprocessor symbol is defined, e.g. with the compiler option -DNDEBUG. */ -//! Enum containing Cantera's behavior for situations where overflow or underflow of real variables +//! Enum containing Cantera's behavior for situations where overflow or underflow of real variables //! may occur. /*! * Note this frequently occurs when taking exponentials of delta gibbs energies of reactions diff --git a/include/cantera/equil/vcs_defs.h b/include/cantera/equil/vcs_defs.h index b256ef4c0..6f1dc245c 100644 --- a/include/cantera/equil/vcs_defs.h +++ b/include/cantera/equil/vcs_defs.h @@ -166,7 +166,7 @@ namespace VCSnonideal */ #define VCS_SPECIES_DELETED -4 -//! Species refers to an electron in the metal. +//! Species refers to an electron in the metal. /*! * The unknown is equal to the electric potential of the phase * in which it exists. @@ -348,7 +348,7 @@ namespace VCSnonideal * Typically, these species are electrons in metals. There is an * infinite supply of them. However, their electrical potential * is sometimes allowed to vary, for example if the open circuit voltage - * is sought after. + * is sought after. */ #define VCS_SPECIES_TYPE_INTERFACIALVOLTAGE -5 //@} diff --git a/include/cantera/equil/vcs_solve.h b/include/cantera/equil/vcs_solve.h index 8a9601e28..782e10b8e 100644 --- a/include/cantera/equil/vcs_solve.h +++ b/include/cantera/equil/vcs_solve.h @@ -123,7 +123,7 @@ public: * @param printDetails 1 -> Print intermediate results. * @param maxit Maximum number of iterations for the algorithm * - * @return + * @return * * 0 = Equilibrium Achieved * * 1 = Range space error encountered. The element abundance criteria * are only partially satisfied. Specifically, the first NC= (number diff --git a/include/cantera/kinetics/EdgeKinetics.h b/include/cantera/kinetics/EdgeKinetics.h index a70cef951..a892bd006 100644 --- a/include/cantera/kinetics/EdgeKinetics.h +++ b/include/cantera/kinetics/EdgeKinetics.h @@ -45,7 +45,6 @@ public: return cEdgeKinetics; } - virtual void finalize(); }; } diff --git a/include/cantera/kinetics/Kinetics.h b/include/cantera/kinetics/Kinetics.h index 095122e20..6f3a9fd2b 100644 --- a/include/cantera/kinetics/Kinetics.h +++ b/include/cantera/kinetics/Kinetics.h @@ -788,7 +788,7 @@ public: virtual void finalize(); /** - * Add a single reaction to the mechanism. This routine + * Add a single reaction to the mechanism. This routine * must be called after init() and before finalize(). Derived classes * should call the base class method in addition to handling their * own specialized behavior. diff --git a/include/cantera/kinetics/ReactionData.h b/include/cantera/kinetics/ReactionData.h index a1c9a2f91..fe2e4d222 100644 --- a/include/cantera/kinetics/ReactionData.h +++ b/include/cantera/kinetics/ReactionData.h @@ -120,7 +120,7 @@ public: doublereal filmResistivity; //! Power of the equilibrium constant within the Affinity representation - /*! + /*! * Only valid for Affinity representation. * default = 1.0 */ @@ -198,7 +198,7 @@ public: bool isReversibleWithFrac; //! Forward value of the apparent Electrochemical transfer coefficient - doublereal beta; + doublereal beta; //! Arrhenius parameters for P-log reactions. //! The keys are the pressures corresponding to each Arrhenius expression. diff --git a/include/cantera/kinetics/StoichManager.h b/include/cantera/kinetics/StoichManager.h index dedd8e9c6..98318c2eb 100644 --- a/include/cantera/kinetics/StoichManager.h +++ b/include/cantera/kinetics/StoichManager.h @@ -764,10 +764,10 @@ public: void add(size_t rxn, const std::vector& k, const vector_fp& order, const vector_fp& stoich) { if (order.size() != k.size()) { - throw CanteraError("StoichManagerN::add()", "size of order and species arrays differ"); + throw CanteraError("StoichManagerN::add()", "size of order and species arrays differ"); } if (stoich.size() != k.size()) { - throw CanteraError("StoichManagerN::add()", "size of stoich and species arrays differ"); + throw CanteraError("StoichManagerN::add()", "size of stoich and species arrays differ"); } bool frac = false; for (size_t n = 0; n < stoich.size(); n++) { diff --git a/include/cantera/thermo/GibbsExcessVPSSTP.h b/include/cantera/thermo/GibbsExcessVPSSTP.h index b64e2f59f..755afa9a2 100644 --- a/include/cantera/thermo/GibbsExcessVPSSTP.h +++ b/include/cantera/thermo/GibbsExcessVPSSTP.h @@ -497,12 +497,12 @@ protected: //! Storage for the current derivative values of the //! gradients with respect to logarithm of the mole fraction of the - //! log of the activity coefficients of the species + //! log of the activity coefficients of the species mutable std::vector dlnActCoeffdlnN_diag_; //! Storage for the current derivative values of the //! gradients with respect to logarithm of the mole fraction of the - //! log of the activity coefficients of the species + //! log of the activity coefficients of the species mutable std::vector dlnActCoeffdlnX_diag_; //! Storage for the current derivative values of the gradients with respect to logarithm of the species mole number of the diff --git a/include/cantera/thermo/MixtureFugacityTP.h b/include/cantera/thermo/MixtureFugacityTP.h index cb3ec0e52..5996bc039 100644 --- a/include/cantera/thermo/MixtureFugacityTP.h +++ b/include/cantera/thermo/MixtureFugacityTP.h @@ -744,7 +744,7 @@ public: */ doublereal calculatePsat(doublereal TKelvin, doublereal& molarVolGas, doublereal& molarVolLiquid); - + public: //! Calculate the saturation pressure at the current mixture content for the given temperature /*! diff --git a/include/cantera/thermo/PDSS_HKFT.h b/include/cantera/thermo/PDSS_HKFT.h index 781d508ca..5bceb4595 100644 --- a/include/cantera/thermo/PDSS_HKFT.h +++ b/include/cantera/thermo/PDSS_HKFT.h @@ -29,9 +29,6 @@ class WaterProps; class PDSS_HKFT : public PDSS_Molar { public: - - - //! @name Constructors //! @{ @@ -429,7 +426,7 @@ private: //! Charge of the ion doublereal m_charge_j; - //! Static variable determining error exiting + //! Static variable determining error exiting /*! * If true, then will error exit if there is an inconsistency in DG0, DH0, and DS0. * If not, then will rewrite DH0 to be consistent with the other two. diff --git a/include/cantera/thermo/Phase.h b/include/cantera/thermo/Phase.h index 7104facfd..902578cfc 100644 --- a/include/cantera/thermo/Phase.h +++ b/include/cantera/thermo/Phase.h @@ -74,7 +74,7 @@ namespace Cantera * The first two methods of naming may not yield a unique species within * complicated assemblies of %Cantera Phases. * - * @todo + * @todo * Make the concept of saving state vectors more general, so that it can * handle other cases where there are additional internal state variables, such * as the voltage, a potential energy, or a strain field. @@ -84,7 +84,7 @@ namespace Cantera * Moreover, ynless we do this, the calculation of jacobians will be altered whenever the treatment of non-conforming mole * fractions is changed. Add setState functions corresponding to specifying mole numbers, which is actually what * is being done (well one of the options, there are many) when non-conforming mole fractions are input. - * Note, we realize that most numerical jacobian and some analytical jacobians use non-conforming calculations. + * Note, we realize that most numerical jacobian and some analytical jacobians use non-conforming calculations. * These can easily be changed to the set mole number setState functions. * * @ingroup phases @@ -121,7 +121,7 @@ public: * * @param xmlPhase Reference to the XML node corresponding to the phase */ - void setXMLdata(XML_Node& xmlPhase); + void setXMLdata(XML_Node& xmlPhase); /*! @name Name and ID * Class Phase contains two strings that identify a phase. The ID is the @@ -802,7 +802,7 @@ public: //! Returns a bool indicating wether the object is ready for use /*! * @return returns true if the object is ready for calculation, false otherwise. - */ + */ virtual bool ready() const; //! Return the State Mole Fraction Number @@ -811,12 +811,11 @@ public: } protected: - //! Cached for saved calculations within each ThermoPhase. /*! * For more information on how to use this, see examples within the source code and documentation * for this within ValueCache class itself. - */ + */ mutable ValueCache m_cache; //! Set the molecular weight of a single species to a given value diff --git a/include/cantera/thermo/RedlichKwongMFTP.h b/include/cantera/thermo/RedlichKwongMFTP.h index 1acb94007..bed75facf 100644 --- a/include/cantera/thermo/RedlichKwongMFTP.h +++ b/include/cantera/thermo/RedlichKwongMFTP.h @@ -368,10 +368,10 @@ public: /// Critical pressure (Pa). virtual doublereal critPressure() const; - + /// Critical volume (m3/kmol) virtual doublereal critVolume() const; - + // Critical compressibility (unitless) virtual doublereal critCompressibility() const; diff --git a/include/cantera/thermo/ThermoPhase.h b/include/cantera/thermo/ThermoPhase.h index d9e03c3f0..0fc102e97 100644 --- a/include/cantera/thermo/ThermoPhase.h +++ b/include/cantera/thermo/ThermoPhase.h @@ -1231,18 +1231,17 @@ public: virtual doublereal critPressure() const { throw NotImplementedError("ThermoPhase::critPressure"); } - + /// Critical volume (m3/kmol). virtual doublereal critVolume() const { throw NotImplementedError("ThermoPhase::critVolume"); } - + /// Critical compressibility (unitless). virtual doublereal critCompressibility() const { throw NotImplementedError("ThermoPhase::critCompressibility"); } - /// Critical density (kg/m3). virtual doublereal critDensity() const { throw NotImplementedError("ThermoPhase::critDensity"); diff --git a/include/cantera/transport/GasTransport.h b/include/cantera/transport/GasTransport.h index 1b74221b2..4bd292532 100644 --- a/include/cantera/transport/GasTransport.h +++ b/include/cantera/transport/GasTransport.h @@ -92,7 +92,7 @@ public: virtual void getMixDiffCoeffsMole(doublereal* const d); //! Returns the mixture-averaged diffusion coefficients [m^2/s]. - /*! + /*! * These are the coefficients for calculating the diffusive mass fluxes * from the species mass fraction gradients, computed according to * Eq. 12.178 in "Chemically Reacting Flow": diff --git a/include/cantera/transport/HighPressureGasTransport.h b/include/cantera/transport/HighPressureGasTransport.h index f2be4f45b..dd076e129 100755 --- a/include/cantera/transport/HighPressureGasTransport.h +++ b/include/cantera/transport/HighPressureGasTransport.h @@ -85,9 +85,6 @@ protected: virtual doublereal FQ_i(doublereal Q, doublereal Tr, doublereal MW); virtual doublereal setPcorr(doublereal Pr, doublereal Tr); - -public: - }; } #endif diff --git a/include/cantera/transport/LTPspecies.h b/include/cantera/transport/LTPspecies.h index 7559e5e40..1c052cf69 100644 --- a/include/cantera/transport/LTPspecies.h +++ b/include/cantera/transport/LTPspecies.h @@ -117,7 +117,7 @@ public: //! Returns the vector of standard state species transport property /*! - * The standard state species transport property + * The standard state species transport property * is returned. Any temperature and composition dependence will be * adjusted internally according to the information provided by the * subclass object. @@ -233,7 +233,7 @@ public: //! Returns the standard state species transport property /*! - * The standard species transport property + * The standard species transport property * is returned. Any temperature and composition dependence will be * adjusted internally according to the information provided. */ diff --git a/include/cantera/transport/TransportParams.h b/include/cantera/transport/TransportParams.h index ec264311b..73c8178aa 100644 --- a/include/cantera/transport/TransportParams.h +++ b/include/cantera/transport/TransportParams.h @@ -238,7 +238,7 @@ public: * Length nsp * nsp .This is a symmetric matrix */ DenseMatrix delta; - + //! Pitzer acentric factor /*! * Length is the number of species in the phase. diff --git a/src/apps/csvdiff.cpp b/src/apps/csvdiff.cpp index cfa90389c..e4cf0db24 100644 --- a/src/apps/csvdiff.cpp +++ b/src/apps/csvdiff.cpp @@ -273,7 +273,7 @@ static void check_consistency(FILE* fp, const char *fileName, const int nTitleL fprintf(stderr, "check_consistency() error for file %s, Line %d couldn't be read\n", fileName, i); exit(-1); - } + } if (ncolsFound != (nCol)) { fprintf(stderr, "check_consistency() error for file %s, Line %d of DataLines didn't have correct commas: %d vs %d\n", fileName, i, ncolsFound, nCol); @@ -291,7 +291,6 @@ static void check_consistency(FILE* fp, const char *fileName, const int nTitleL fileName, i, j); fprintf(stderr," %s\n", scanLine); exit(-1); - } } } @@ -396,7 +395,7 @@ static void get_sizes(FILE* fp, int& nTitleLines, int& nColTitleLines, */ rewind(fp); ColIsFloat.assign(ColIsFloat.size(), 0); - + for (i = 0; i < nScanLines; i++) { retn = read_line(fp, scanLine, 0); int ncolsFound = breakStrCommas(scanLine, strlets, nCol); @@ -857,7 +856,7 @@ int main(int argc, char* argv[]) ColIsFloat1.resize(200, 0); ColIsFloat2.resize(200, 0); - + /* * Obtain the size of the problem information: Compare between files. */ diff --git a/src/base/xml.cpp b/src/base/xml.cpp index 7e5d70a7e..5cc3515e2 100644 --- a/src/base/xml.cpp +++ b/src/base/xml.cpp @@ -1108,7 +1108,7 @@ XML_Node* findXMLPhase(XML_Node* root, idattrib = root->id(); if (idtarget == idattrib) { return root; - } + } } const vector &vsc = root->children(); diff --git a/src/clib/ct.cpp b/src/clib/ct.cpp index efd75f56d..d215b1399 100644 --- a/src/clib/ct.cpp +++ b/src/clib/ct.cpp @@ -791,7 +791,6 @@ extern "C" { return handleAllExceptions(-1, ERR); } } - //-------------- Kinetics ------------------// diff --git a/src/equil/vcs_VolPhase.cpp b/src/equil/vcs_VolPhase.cpp index 7e8390988..46a0bebba 100644 --- a/src/equil/vcs_VolPhase.cpp +++ b/src/equil/vcs_VolPhase.cpp @@ -906,7 +906,7 @@ void vcs_VolPhase::setCreationMoleNumbers(const double* const n_k, const std::vector &creationGlobalRxnNumbers) { creationMoleNumbers_.assign(n_k, n_k+m_numSpecies); - for (size_t k = 0; k < m_numSpecies; k++) { + for (size_t k = 0; k < m_numSpecies; k++) { creationGlobalRxnNumbers_[k] = creationGlobalRxnNumbers[k]; } } diff --git a/src/equil/vcs_phaseStability.cpp b/src/equil/vcs_phaseStability.cpp index 2c00bf141..8909e135e 100644 --- a/src/equil/vcs_phaseStability.cpp +++ b/src/equil/vcs_phaseStability.cpp @@ -24,7 +24,7 @@ bool VCS_SOLVE::vcs_popPhasePossible(const size_t iphasePop) const /* * Loop through all of the species in the phase. We say the phase * can be popped, if there is one species in the phase that can be - * popped. This does not mean that the phase will be popped or that it + * popped. This does not mean that the phase will be popped or that it * leads to a lower Gibbs free energy. */ for (size_t k = 0; k < Vphase->nSpecies(); k++) { @@ -39,7 +39,7 @@ bool VCS_SOLVE::vcs_popPhasePossible(const size_t iphasePop) const /* * Note one case is if the component is a member of the popping phase. * This component will be zeroed and the logic here will negate the current - * species from causing a positive if this component is consumed. + * species from causing a positive if this component is consumed. */ for (size_t j = 0; j < m_numComponents; ++j) { if (m_elType[j] == VCS_ELEM_TYPE_ABSPOS) { diff --git a/src/equil/vcs_solve_TP.cpp b/src/equil/vcs_solve_TP.cpp index 9538e4dae..2ef52b9dd 100644 --- a/src/equil/vcs_solve_TP.cpp +++ b/src/equil/vcs_solve_TP.cpp @@ -2571,7 +2571,7 @@ int VCS_SOLVE::vcs_basopt(const bool doJustComponents, double aw[], double sa[], /* * Use a temporary work array for the mole numbers, aw[] */ - std::copy(m_molNumSpecies_old.begin(), + std::copy(m_molNumSpecies_old.begin(), m_molNumSpecies_old.begin() + m_numSpeciesTot, aw); /* * Take out the Voltage unknowns from consideration @@ -4168,7 +4168,7 @@ void VCS_SOLVE::vcs_printDeltaG(const int stateCalc) printf(" %-3s", Cantera::int2str(iphase).c_str()); if (m_speciesUnknownType[kspec] == VCS_SPECIES_TYPE_INTERFACIALVOLTAGE) { printf(" NA "); - } else { + } else { printf(" % -12.4e", molNumSpecies[kspec]); } printf(" % -12.4e", mfValue); diff --git a/src/equil/vcs_species_thermo.cpp b/src/equil/vcs_species_thermo.cpp index 7ec0a944f..402302d06 100644 --- a/src/equil/vcs_species_thermo.cpp +++ b/src/equil/vcs_species_thermo.cpp @@ -127,7 +127,7 @@ double VCS_SPECIES_THERMO::GStar_R_calc(size_t kglob, double TKelvin, return fe; } -double VCS_SPECIES_THERMO::VolStar_calc(size_t kglob, double TKelvin, +double VCS_SPECIES_THERMO::VolStar_calc(size_t kglob, double TKelvin, double presPA) { double vol; diff --git a/src/kinetics/InterfaceKinetics.cpp b/src/kinetics/InterfaceKinetics.cpp index 9b43b7d8f..32922dade 100644 --- a/src/kinetics/InterfaceKinetics.cpp +++ b/src/kinetics/InterfaceKinetics.cpp @@ -411,7 +411,7 @@ void InterfaceKinetics::applyVoltageKfwdCorrection(doublereal* const kf) for (size_t i = 0; i < m_beta.size(); i++) { size_t irxn = m_ctrxn[i]; - // If we calculate the BV form directly, we don't add the voltage correction to the + // If we calculate the BV form directly, we don't add the voltage correction to the // forward reaction rate constants. if (m_ctrxn_BVform[i] == 0) { eamod = m_beta[i] * deltaElectricEnergy_[irxn]; diff --git a/src/thermo/FixedChemPotSSTP.cpp b/src/thermo/FixedChemPotSSTP.cpp index 01408e51c..65ad06a79 100644 --- a/src/thermo/FixedChemPotSSTP.cpp +++ b/src/thermo/FixedChemPotSSTP.cpp @@ -188,7 +188,7 @@ doublereal FixedChemPotSSTP::logStandardConc(size_t k) const return 0.0; } -void FixedChemPotSSTP::getUnitsStandardConc(doublereal* uA, int k, +void FixedChemPotSSTP::getUnitsStandardConc(doublereal* uA, int k, int sizeUA) const { for (int i = 0; i < 6; i++) { diff --git a/src/thermo/MargulesVPSSTP.cpp b/src/thermo/MargulesVPSSTP.cpp index f1377c694..b22f87ef7 100644 --- a/src/thermo/MargulesVPSSTP.cpp +++ b/src/thermo/MargulesVPSSTP.cpp @@ -709,7 +709,7 @@ void MargulesVPSSTP::readXMLBinarySpecies(XML_Node& xmLBinarySpecies) * excessEntropy * excessVolume_Enthalpy * excessVolume_Entropy - * Other blocks are currently ignored. + * Other blocks are currently ignored. * @TODO determine a policy about ignoring blocks that should or shouldn't be there. */ if (nodeName == "excessenthalpy") { diff --git a/src/thermo/MetalSHEelectrons.cpp b/src/thermo/MetalSHEelectrons.cpp index fabd9beb1..21e884b66 100644 --- a/src/thermo/MetalSHEelectrons.cpp +++ b/src/thermo/MetalSHEelectrons.cpp @@ -156,7 +156,7 @@ doublereal MetalSHEelectrons::logStandardConc(size_t k) const return 0.0; } -void MetalSHEelectrons::getUnitsStandardConc(doublereal* uA, int k, +void MetalSHEelectrons::getUnitsStandardConc(doublereal* uA, int k, int sizeUA) const { for (int i = 0; i < 6; i++) { diff --git a/src/thermo/MixtureFugacityTP.cpp b/src/thermo/MixtureFugacityTP.cpp index 1667d93ba..eaa1e277d 100644 --- a/src/thermo/MixtureFugacityTP.cpp +++ b/src/thermo/MixtureFugacityTP.cpp @@ -752,7 +752,7 @@ doublereal MixtureFugacityTP::densSpinodalGas() const { throw CanteraError("", "unimplmented"); } - + doublereal MixtureFugacityTP::satPressure(doublereal TKelvin) { doublereal molarVolGas; @@ -760,7 +760,6 @@ doublereal MixtureFugacityTP::satPressure(doublereal TKelvin) return calculatePsat(TKelvin, molarVolGas, molarVolLiquid); } - doublereal MixtureFugacityTP::calculatePsat(doublereal TKelvin, doublereal& molarVolGas, doublereal& molarVolLiquid) { diff --git a/src/thermo/PDSS_HKFT.cpp b/src/thermo/PDSS_HKFT.cpp index 0ad33579a..331115280 100644 --- a/src/thermo/PDSS_HKFT.cpp +++ b/src/thermo/PDSS_HKFT.cpp @@ -26,7 +26,7 @@ namespace Cantera { /* * Set the default to error exit if there is an input file inconsistency - */ + */ int PDSS_HKFT::s_InputInconsistencyErrorExit = 1; PDSS_HKFT::PDSS_HKFT(VPStandardStateTP* tp, size_t spindex) : @@ -488,7 +488,7 @@ void PDSS_HKFT::initThermo() //! Ok, we have mu. Let's check it against the input value // of DH_F to see that we have some internal consistency - + doublereal Hcalc = m_Mu0_tr_pr + 298.15 * (m_Entrop_tr_pr * 1.0E3 * 4.184); doublereal DHjmol = m_deltaH_formation_tr_pr * 1.0E3 * 4.184; diff --git a/src/thermo/PureFluidPhase.cpp b/src/thermo/PureFluidPhase.cpp index 54611f516..7dae85c2a 100644 --- a/src/thermo/PureFluidPhase.cpp +++ b/src/thermo/PureFluidPhase.cpp @@ -320,7 +320,7 @@ void PureFluidPhase::setState_SP(doublereal s, doublereal p, setState_TR(m_sub->Temp(), 1.0/m_sub->v()); } -doublereal PureFluidPhase::satPressure(doublereal t) +doublereal PureFluidPhase::satPressure(doublereal t) { Set(tpx::PropertyPair::TV, t, m_sub->v()); return m_sub->Ps(); diff --git a/src/thermo/RedlichKwongMFTP.cpp b/src/thermo/RedlichKwongMFTP.cpp index f6b93e06a..f9096406d 100644 --- a/src/thermo/RedlichKwongMFTP.cpp +++ b/src/thermo/RedlichKwongMFTP.cpp @@ -613,7 +613,7 @@ doublereal RedlichKwongMFTP::critPressure() const return pc; } - + doublereal RedlichKwongMFTP::critVolume() const { double pc, tc, vc; diff --git a/src/transport/HighPressureGasTransport.cpp b/src/transport/HighPressureGasTransport.cpp index 463a2722e..53bfcd090 100755 --- a/src/transport/HighPressureGasTransport.cpp +++ b/src/transport/HighPressureGasTransport.cpp @@ -6,7 +6,7 @@ * Binary diffusion coefficients use the generalized chart described by * Takahashi, et al. and viscosity calcualtions use the Lucas method. * All methods are described in Reid, Prausnitz, and Polling, "The Properties - * of Gases and Liquids, 4th ed., 1987 (viscosity in Ch. 9, Thermal + * of Gases and Liquids, 4th ed., 1987 (viscosity in Ch. 9, Thermal * conductivity in Ch. 10, and Diffusion coefficients in Ch. 11). * **/ @@ -125,7 +125,7 @@ double HighPressureGasTransport::thermalConductivity() doublereal Lstar_m = H_m*(L_1m + L_2m + L_3m); return Lprime_m + Lstar_m; - + } void HighPressureGasTransport::getThermalDiffCoeffs(doublereal* const dt) @@ -239,12 +239,12 @@ void HighPressureGasTransport::getMultiDiffCoeffs(const size_t ld, doublereal* c // zero (this would lead to Pr_ij = Inf): doublereal x_i = std::max(Tiny, molefracs[i]); doublereal x_j = std::max(Tiny, molefracs[j]); - + x_i = x_i/(x_i+x_j); x_j = x_j/(x_i+x_j); Tr_ij = m_temp/(x_i*Tcrit_i(i) + x_j*Tcrit_i(j)); Pr_ij = m_thermo->pressure()/(x_i*Pcrit_i(i) + x_j*Pcrit_i(j)); - + if (Pr_ij < 0.1) { P_corr_ij = 1; }else { @@ -253,21 +253,21 @@ void HighPressureGasTransport::getMultiDiffCoeffs(const size_t ld, doublereal* c P_corr_ij = Tiny; } } - + m_bdiff(i,j) *= P_corr_ij; } } m_bindiff_ok = false; // m_bdiff is overwritten by the above routine. - + // Having corrected m_bdiff for pressure and concentration effects, the // routine now procedes the same as in the low-pressure case: - + // evaluate L0000 if the temperature or concentrations have // changed since it was last evaluated. if (!m_l0000_ok) { eval_L0000(DATA_PTR(molefracs)); } - + // invert L00,00 int ierr = invert(m_Lmatrix, m_nsp); if (ierr != 0) { @@ -276,12 +276,12 @@ void HighPressureGasTransport::getMultiDiffCoeffs(const size_t ld, doublereal* c } m_l0000_ok = false; // matrix is overwritten by inverse m_lmatrix_soln_ok = false; - + doublereal pres = m_thermo->pressure(); doublereal prefactor = 16.0 * m_temp *m_thermo->meanMolecularWeight()/(25.0*pres); doublereal c; - + for (size_t i = 0; i < m_nsp; i++) { for (size_t j = 0; j < m_nsp; j++) { c = prefactor/m_mw[j]; @@ -289,11 +289,11 @@ void HighPressureGasTransport::getMultiDiffCoeffs(const size_t ld, doublereal* c } } } - + doublereal HighPressureGasTransport::viscosity() { // Calculate the high-pressure mixture viscosity, based on the Lucas method. - + double Tc_mix = 0.; double Pc_mix_n = 0.; double Pc_mix_d = 0.; @@ -312,7 +312,6 @@ doublereal HighPressureGasTransport::viscosity() x_H = molefracs[0]; for (size_t i = 0; i < m_nsp; i++) { - // Calculate pure-species critical constants and add their contribution // to the mole-fraction-weighted mixture averages: Tc = Tcrit_i(i); @@ -321,14 +320,14 @@ doublereal HighPressureGasTransport::viscosity() Tc_mix += Tc*molefracs[i]; Pc_mix_n += molefracs[i]*Zc; //numerator Pc_mix_d += molefracs[i]*Vcrit_i(i); //denominator - + // Need to calculate ratio of heaviest to lightest species: if (m_mw[i] > MW_H) { MW_H = m_mw[i]; x_H = molefracs[i]; } else if (m_mw[i] < MW_L) { MW_L = m_mw[i]; } - + // Calculate reduced dipole moment for polar correction term: doublereal mu_ri = 52.46*100000*m_dipole(i,i)*m_dipole(i,i) *Pcrit_i(i)/(Tc*Tc); @@ -339,7 +338,7 @@ doublereal HighPressureGasTransport::viscosity() } else { FP_mix_o += molefracs[i]*(1. + 30.55*pow(0.292 - Zc, 1.72) *fabs(0.96 + 0.1*(Tr - 0.7))); } - + // Calculate contribution to quantum correction term. // SCD Note: This assumes the species of interest (He, H2, and D2) have // been named in this specific way. They are perhaps the most obvious @@ -355,28 +354,27 @@ doublereal HighPressureGasTransport::viscosity() } else { FQ_mix_o += molefracs[i]; } - } - + double Tr_mix = tKelvin/Tc_mix; double Pc_mix = GasConstant*Tc_mix*Pc_mix_n/Pc_mix_d; double Pr_mix = m_thermo->pressure()/Pc_mix; double ratio = MW_H/MW_L; - + double ksi = pow(GasConstant*Tc_mix*3.6277*pow(10.0,53.0)/(pow(MW_mix,3) *pow(Pc_mix,4)),1.0/6.0); - + if (ratio > 9 && x_H > 0.05 && x_H < 0.7) { Afac = 1 - 0.01*pow(ratio,0.87); } else { Afac = 1; } FQ_mix_o *= Afac; - + // Calculate Z1m Z1m = (0.807*pow(Tr_mix,0.618) - 0.357*exp(-0.449*Tr_mix) + 0.340*exp(-4.058*Tr_mix)+0.018)*FP_mix_o*FQ_mix_o; - + // Calculate Z2m: if (Tr_mix <= 1.0){ if (Pr_mix < Pvp_mix/Pc_mix) { @@ -395,7 +393,7 @@ doublereal HighPressureGasTransport::viscosity() doublereal c_fac = 0.4489*exp(3.0578*pow(Tr_mix,-37.7332))/Tr_mix; doublereal d_fac = 1.7368*exp(2.2310*pow(Tr_mix,-7.6351))/Tr_mix; doublereal f_fac = 0.9425*exp(-0.1853*pow(Tr_mix,0.4489)); - + Z2m = Z1m*(1 + a_fac*pow(Pr_mix,1.3088)/(b_fac*pow(Pr_mix,f_fac) + pow(1+c_fac*pow(Pr_mix,d_fac),-1))); } else { @@ -406,10 +404,10 @@ doublereal HighPressureGasTransport::viscosity() throw CanteraError("HighPressureGasTransport::viscosity", "State is outside the limits of the Lucas model, Tr > 40"); } - + // Calculate Y: doublereal Y = Z2m/Z1m; - + // Return the viscosity: return Z2m*(1 + (FP_mix_o - 1)*pow(Y,-3))*(1 + (FQ_mix_o - 1) *(1/Y - 0.007*pow(log(Y),4)))/(ksi*FP_mix_o*FQ_mix_o); @@ -439,7 +437,7 @@ doublereal HighPressureGasTransport::Pcrit_i(size_t i) m_thermo->setMoleFractions(&molefracs[0]); return pc; } - + doublereal HighPressureGasTransport::Vcrit_i(size_t i) { size_t nsp = m_thermo->nSpecies(); @@ -451,7 +449,7 @@ doublereal HighPressureGasTransport::Vcrit_i(size_t i) m_thermo->setMoleFractions(&molefracs[0]); return vc; } - + doublereal HighPressureGasTransport::Zcrit_i(size_t i) { size_t nsp = m_thermo->nSpecies(); diff --git a/src/transport/LiquidTransport.cpp b/src/transport/LiquidTransport.cpp index 751cf6fdf..c8554cfdb 100644 --- a/src/transport/LiquidTransport.cpp +++ b/src/transport/LiquidTransport.cpp @@ -223,7 +223,7 @@ bool LiquidTransport::initLiquid(LiquidTransportParams& tr) m_nsp2 = m_nsp*m_nsp; // // Resize the local storage according to the number of species - // + // m_mw.resize(m_nsp, 0.0); m_viscSpecies.resize(m_nsp, 0.0); m_viscTempDep_Ns.resize(m_nsp, 0); diff --git a/src/transport/MultiTransport.cpp b/src/transport/MultiTransport.cpp index 259072b24..b154b6da7 100644 --- a/src/transport/MultiTransport.cpp +++ b/src/transport/MultiTransport.cpp @@ -525,7 +525,7 @@ void MultiTransport::updateThermal_T() */ vector_fp cp(m_thermo->nSpecies()); m_thermo->getCp_R_ref(&cp[0]); - + for (size_t k = 0; k < m_nsp; k++) { m_cinternal[k] = cp[k] - 2.5; } diff --git a/src/transport/SimpleTransport.cpp b/src/transport/SimpleTransport.cpp index c29594563..fa83eaacc 100644 --- a/src/transport/SimpleTransport.cpp +++ b/src/transport/SimpleTransport.cpp @@ -170,7 +170,7 @@ bool SimpleTransport::initLiquid(LiquidTransportParams& tr) if (transportModel == "Simple") { compositionDepType_ = tr.compositionDepTypeDefault_; - + } else { throw CanteraError("SimpleTransport::initLiquid()", "transport model isn't the correct type: " + transportModel); diff --git a/src/transport/TransportFactory.cpp b/src/transport/TransportFactory.cpp index ea176384e..784f808a8 100644 --- a/src/transport/TransportFactory.cpp +++ b/src/transport/TransportFactory.cpp @@ -186,7 +186,7 @@ LiquidTranInteraction* TransportFactory::newLTI(const XML_Node& trNode, break; default: // - // @TODO make sure we can throw an error here with existing datasets and tests before changing code + // @TODO make sure we can throw an error here with existing datasets and tests before changing code // lti = new LiquidTranInteraction(tp_ind); lti->init(trNode, thermo);