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[Thermo] NasaPoly1 stores coefficients in the conventional order

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This commit is contained in:
Ray Speth 2015-01-22 00:04:03 +00:00
parent b63d759918
commit 598e47d644
1 changed files with 30 additions and 32 deletions
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62
include/cantera/thermo/NasaPoly1.h
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@ -52,17 +52,23 @@ public:
//! constructor used in templated instantiations
/*!
* @param n Species index
* @param tlow Minimum temperature
* @param thigh Maximum temperature
* @param pref reference pressure (Pa).
* @param coeffs Vector of coefficients used to set the
* parameters for the standard state.
* @param n Species index
* @param tlow Minimum temperature
* @param thigh Maximum temperature
* @param pref reference pressure (Pa).
* @param coeffs Vector of coefficients used to set the parameters for the
* standard state, in the order [a5,a6,a0,a1,a2,a3,a4]
*/
NasaPoly1(size_t n, doublereal tlow, doublereal thigh, doublereal pref,
const doublereal* coeffs) :
SpeciesThermoInterpType(n, tlow, thigh, pref),
m_coeff(coeffs, coeffs + 7) {
m_coeff(7)
{
for (size_t i = 0; i < 5; i++) {
m_coeff[i] = coeffs[i+2];
}
m_coeff[5] = coeffs[0];
m_coeff[6] = coeffs[1];
}
//! copy constructor
@ -130,18 +136,18 @@ public:
*/
virtual void updateProperties(const doublereal* tt,
doublereal* cp_R, doublereal* h_RT, doublereal* s_R) const {
doublereal ct0 = m_coeff[2]; // a0
doublereal ct1 = m_coeff[3]*tt[0]; // a1 * T
doublereal ct2 = m_coeff[4]*tt[1]; // a2 * T^2
doublereal ct3 = m_coeff[5]*tt[2]; // a3 * T^3
doublereal ct4 = m_coeff[6]*tt[3]; // a4 * T^4
doublereal ct0 = m_coeff[0]; // a0
doublereal ct1 = m_coeff[1]*tt[0]; // a1 * T
doublereal ct2 = m_coeff[2]*tt[1]; // a2 * T^2
doublereal ct3 = m_coeff[3]*tt[2]; // a3 * T^3
doublereal ct4 = m_coeff[4]*tt[3]; // a4 * T^4
doublereal cp, h, s;
cp = ct0 + ct1 + ct2 + ct3 + ct4;
h = ct0 + 0.5*ct1 + 1.0/3.0*ct2 + 0.25*ct3 + 0.2*ct4
+ m_coeff[0]*tt[4]; // last term is a5/T
+ m_coeff[5]*tt[4]; // last term is a5/T
s = ct0*tt[5] + ct1 + 0.5*ct2 + 1.0/3.0*ct3
+0.25*ct4 + m_coeff[1]; // last term is a6
+0.25*ct4 + m_coeff[6]; // last term is a6
// return the computed properties in the location in the output
// arrays for this species
@ -169,11 +175,7 @@ public:
tlow = m_lowT;
thigh = m_highT;
pref = m_Pref;
coeffs[5] = m_coeff[0];
coeffs[6] = m_coeff[1];
for (int i = 2; i < 7; i++) {
coeffs[i-2] = m_coeff[i];
}
std::copy(m_coeff.begin(), m_coeff.end(), coeffs);
}
//! Modify parameters for the standard state
@ -182,25 +184,21 @@ public:
* parameters for the standard state.
*/
virtual void modifyParameters(doublereal* coeffs) {
m_coeff[0] = coeffs[5];
m_coeff[1] = coeffs[6];
for (int i = 0; i < 5; i++) {
m_coeff[i+2] = coeffs[i];
}
std::copy(coeffs, coeffs+7, m_coeff.begin());
}
virtual doublereal reportHf298(doublereal* const h298 = 0) const {
double tt[6];
double temp = 298.15;
updateTemperaturePoly(temp, tt);
doublereal ct0 = m_coeff[2]; // a0
doublereal ct1 = m_coeff[3]*tt[0]; // a1 * T
doublereal ct2 = m_coeff[4]*tt[1]; // a2 * T^2
doublereal ct3 = m_coeff[5]*tt[2]; // a3 * T^3
doublereal ct4 = m_coeff[6]*tt[3]; // a4 * T^4
doublereal ct0 = m_coeff[0]; // a0
doublereal ct1 = m_coeff[1]*tt[0]; // a1 * T
doublereal ct2 = m_coeff[2]*tt[1]; // a2 * T^2
doublereal ct3 = m_coeff[3]*tt[2]; // a3 * T^3
doublereal ct4 = m_coeff[4]*tt[3]; // a4 * T^4
double h_RT = ct0 + 0.5*ct1 + 1.0/3.0*ct2 + 0.25*ct3 + 0.2*ct4
+ m_coeff[0]*tt[4]; // last t
+ m_coeff[5]*tt[4]; // last t
double h = h_RT * GasConstant * temp;
if (h298) {
@ -215,11 +213,11 @@ public:
}
double hcurr = reportHf298(0);
double delH = Hf298New - hcurr;
m_coeff[0] += (delH) / GasConstant;
m_coeff[5] += (delH) / GasConstant;
}
protected:
//! array of polynomial coefficients
//! array of polynomial coefficients, stored in the order [a0, ..., a6]
vector_fp m_coeff;
};