diff --git a/Cantera/src/transport/AqueousTransport.cpp b/Cantera/src/transport/AqueousTransport.cpp index abb947491..a5aa9e640 100644 --- a/Cantera/src/transport/AqueousTransport.cpp +++ b/Cantera/src/transport/AqueousTransport.cpp @@ -19,6 +19,7 @@ #include "utilities.h" #include "TransportParams.h" +#include "LiquidTransportParams.h" #include "TransportFactory.h" #include "ctlapack.h" @@ -72,7 +73,7 @@ namespace Cantera { /* * This is where we dimension everything. */ - bool AqueousTransport::init(TransportParams& tr) { + bool AqueousTransport::initLiquid( LiquidTransportParams& tr ) { // constant substance attributes m_thermo = tr.thermo; @@ -86,15 +87,11 @@ namespace Cantera { m_thermo->molecularWeights().end(), m_mw.begin()); // copy polynomials and parameters into local storage - m_poly = tr.poly; m_visccoeffs = tr.visccoeffs; m_condcoeffs = tr.condcoeffs; m_diffcoeffs = tr.diffcoeffs; m_mode = tr.mode; - m_diam = tr.diam; - m_eps = tr.eps; - m_alpha = tr.alpha; m_phi.resize(m_nsp, m_nsp, 0.0); @@ -585,17 +582,15 @@ namespace Cantera { * This function returns a Transport data object for a given species. * */ - struct GasTransportData AqueousTransport:: - getGasTransportData(int kSpecies) + struct LiquidTransportData AqueousTransport:: + getLiquidTransportData(int kSpecies) { - struct GasTransportData td; + struct LiquidTransportData td; td.speciesName = m_thermo->speciesName(kSpecies); - - td.wellDepth = m_eps[kSpecies] / Boltzmann; - td.diameter = m_diam(kSpecies, kSpecies) * 1.0E10; - td.polarizability = m_alpha[kSpecies] * 1.0E30; - + /* NEEDS WORK + td.hydroradius = ???; + */ return td; } diff --git a/Cantera/src/transport/AqueousTransport.h b/Cantera/src/transport/AqueousTransport.h index 8a460a2c9..446701ddb 100644 --- a/Cantera/src/transport/AqueousTransport.h +++ b/Cantera/src/transport/AqueousTransport.h @@ -11,13 +11,15 @@ #ifndef CT_AQUEOUSTRAN_H -#define CT_AQYEOUSTRAN_H +#define CT_AQUEOUSTRAN_H using namespace std; // Cantera includes #include "TransportBase.h" #include "DenseMatrix.h" +#include "TransportParams.h" +#include "LiquidTransportParams.h" #include @@ -29,7 +31,7 @@ using namespace std; namespace Cantera { - class TransportParams; + class LiquidTransportParams; //! Class AqueousTransport implements mixture-averaged transport @@ -275,7 +277,7 @@ namespace Cantera { * @param tr Transport parameters for all of the species * in the phase. */ - virtual bool init(TransportParams& tr); + virtual bool initLiquid( LiquidTransportParams& tr ); friend class TransportFactory; @@ -286,7 +288,7 @@ namespace Cantera { * * @param k Species number to obtain the properties about. */ - struct GasTransportData getGasTransportData(int k); + struct LiquidTransportData getLiquidTransportData(int k); //! Solve the stefan_maxell equations for the diffusive fluxes. diff --git a/Cantera/src/transport/LiquidTransport.cpp b/Cantera/src/transport/LiquidTransport.cpp index 1b13824d0..19219ff35 100644 --- a/Cantera/src/transport/LiquidTransport.cpp +++ b/Cantera/src/transport/LiquidTransport.cpp @@ -174,13 +174,11 @@ namespace Cantera { m_thermo->molecularWeights().end(), m_mw.begin()); // copy polynomials and parameters into local storage - viscCoeffsVector_ = tr.viscCoeffsVector_; + viscCoeffsVector_ = tr.visccoeffs; m_condcoeffs = tr.condcoeffs; //m_diffcoeffs = tr.diffcoeffs; m_mode = tr.mode; - m_diam = tr.diam; - m_eps = tr.eps; m_phi.resize(m_nsp, m_nsp, 0.0); @@ -547,14 +545,6 @@ namespace Cantera { m_t32 = m_temp * m_sqrt_t; m_sqrt_kbt = sqrt(Boltzmann*m_temp); - // compute powers of log(T) - // -> may move this - m_polytempvec[0] = 1.0; - m_polytempvec[1] = m_logt; - m_polytempvec[2] = m_logt*m_logt; - m_polytempvec[3] = m_logt*m_logt*m_logt; - m_polytempvec[4] = m_logt*m_logt*m_logt*m_logt; - // temperature has changed so temp flags are flipped m_visc_temp_ok = false; m_diff_temp_ok = false; @@ -690,17 +680,19 @@ namespace Cantera { void LiquidTransport::updateCond_temp() { int k; + /* if (m_mode == CK_Mode) { for (k = 0; k < m_nsp; k++) { - m_cond[k] = exp(dot4(m_polytempvec, m_condcoeffs[k])); + m_cond[k] = exp(m_condcoeffs[k]); } } else { for (k = 0; k < m_nsp; k++) { - m_cond[k] = m_sqrt_t * dot5(m_polytempvec, m_condcoeffs[k]); + m_cond[k] = m_sqrt_t * m_condcoeffs[k]; } } m_cond_temp_ok = true; m_cond_mix_ok = false; + */ } @@ -713,10 +705,11 @@ namespace Cantera { // evaluate binary diffusion coefficients at unit pressure int i,j; int ic = 0; + /* if (m_mode == CK_Mode) { for (i = 0; i < m_nsp; i++) { for (j = i; j < m_nsp; j++) { - m_bdiff(i,j) = exp(dot4(m_polytempvec, m_diffcoeffs[ic])); + m_bdiff(i,j) = exp(m_diffcoeffs[ic]); m_bdiff(j,i) = m_bdiff(i,j); ic++; } @@ -725,8 +718,7 @@ namespace Cantera { else { for (i = 0; i < m_nsp; i++) { for (j = i; j < m_nsp; j++) { - m_bdiff(i,j) = m_temp * m_sqrt_t*dot5(m_polytempvec, - m_diffcoeffs[ic]); + m_bdiff(i,j) = m_temp * m_sqrt_t*m_diffcoeffs[ic]; m_bdiff(j,i) = m_bdiff(i,j); ic++; } @@ -735,6 +727,7 @@ namespace Cantera { m_diff_temp_ok = true; m_diff_mix_ok = false; + */ } @@ -756,16 +749,17 @@ namespace Cantera { int k; doublereal vratiokj, wratiojk, factor1; + /* if (m_mode == CK_Mode) { for (k = 0; k < m_nsp; k++) { - viscSpecies_[k] = exp(dot4(m_polytempvec, viscCoeffsVector_[k])); + viscSpecies_[k] = exp(viscCoeffsVector_[k]); m_sqvisc[k] = sqrt(viscSpecies_[k]); } } else { for (k = 0; k < m_nsp; k++) { // the polynomial fit is done for sqrt(visc/sqrt(T)) - m_sqvisc[k] = m_t14*dot5(m_polytempvec, viscCoeffsVector_[k]); + m_sqvisc[k] = m_t14 * viscCoeffsVector_[k]; viscSpecies_[k] = (m_sqvisc[k]*m_sqvisc[k]); } } @@ -788,6 +782,7 @@ namespace Cantera { m_visc_temp_ok = true; m_visc_mix_ok = false; + */ } diff --git a/Cantera/src/transport/LiquidTransport.h b/Cantera/src/transport/LiquidTransport.h index 1b131d764..0c7aaa467 100644 --- a/Cantera/src/transport/LiquidTransport.h +++ b/Cantera/src/transport/LiquidTransport.h @@ -25,6 +25,7 @@ using namespace std; // Cantera includes #include "TransportBase.h" #include "DenseMatrix.h" +#include "TransportParams.h" #include "LiquidTransportParams.h" namespace Cantera { @@ -39,7 +40,7 @@ namespace Cantera { - class TransportParams; + class LiquidTransportParams; //! Class LiquidTransport implements mixture-averaged transport @@ -507,9 +508,6 @@ namespace Cantera { */ vector_fp m_cond; - //! Polynomials of the log of the temperature - vector_fp m_polytempvec; - //! State of the mole fraction vector. int m_iStateMF;