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[Transport] Check that mole fractions are different before recalcuating

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This avoids recomputing and factorizing the L matrix under some circumstances,
such as when both thermal conductivity and the Soret coefficients are requested
for the same mixture.
This commit is contained in:
Ray Speth 2013-02-15 17:32:19 +00:00
parent 529c9b762a
commit fae8197bd4
2 changed files with 20 additions and 10 deletions
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3
include/cantera/transport/MultiTransport.h
View file

@ -203,6 +203,9 @@ private:
// work space
vector_fp m_spwork1, m_spwork2, m_spwork3;
//! Mole fraction vector from last L-matrix evaluation
vector_fp m_molefracs_last;
void correctBinDiffCoeffs();
//! Boolean indicating viscosity is up to date

27
src/transport/MultiTransport.cpp
View file

@ -78,6 +78,7 @@ bool MultiTransport::initGas(GasTransportParams& tr)
m_a.resize(3*m_nsp, 1.0);
m_b.resize(3*m_nsp, 0.0);
m_aa.resize(m_nsp, m_nsp, 0.0);
m_molefracs_last.resize(m_nsp, -1.0);
m_frot_298.resize(m_nsp);
m_rotrelax.resize(m_nsp);
@ -166,6 +167,9 @@ void MultiTransport::solveLMatrixEquation()
// if T has changed, update the temperature-dependent properties.
updateThermal_T();
update_C();
if (m_lmatrix_soln_ok) {
return;
}
// Copy the mole fractions twice into the last two blocks of
// the right-hand-side vector m_b. The first block of m_b was
@ -233,10 +237,9 @@ void MultiTransport::solveLMatrixEquation()
"error in solving L matrix.");
}
m_lmatrix_soln_ok = true;
m_l0000_ok = false;
m_molefracs_last = m_molefracs;
// L matrix is overwritten with LU decomposition
//}
m_lmatrix_soln_ok = true;
m_l0000_ok = false;
}
//====================================================================================================================
@ -528,6 +531,7 @@ void MultiTransport::getMultiDiffCoeffs(const size_t ld, doublereal* const d)
string(" invert returned ierr = ")+int2str(ierr));
}
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
@ -562,18 +566,21 @@ void MultiTransport::update_T()
void MultiTransport::update_C()
{
// signal that concentration-dependent quantities will need to
// be recomputed before use, and update the local mole
// fraction array.
m_l0000_ok = false;
m_lmatrix_soln_ok = false;
// Update the local mole fraction array
m_thermo->getMoleFractions(DATA_PTR(m_molefracs));
// add an offset to avoid a pure species condition
// (check - this may be unnecessary)
for (size_t k = 0; k < m_nsp; k++) {
// add an offset to avoid a pure species condition
m_molefracs[k] = std::max(Tiny, m_molefracs[k]);
if (m_molefracs[k] != m_molefracs_last[k]) {
// If any mole fractions have changed, signal that concentration-
// dependent quantities will need to be recomputed before use.
m_l0000_ok = false;
m_lmatrix_soln_ok = false;
}
}
m_l0000_ok = false;
m_lmatrix_soln_ok = false;
}
/*************************************************************************