Testing pcsaft #1883
Testing pcsaft #1883
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* Free input strings in Mathematica interface
Pulling updates from CoolProp master
Pulling updates from CoolProp master
| @@ -548,6 +552,10 @@ double AbstractState::hmolar(void){ | |||
| if (!_hmolar) _hmolar = calc_hmolar(); | |||
| return _hmolar; | |||
| } | |||
| double AbstractState::hmolar_residual(void){ | |||
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Nice work!!!! Can you please make some changes to the smolar_residual handling as I indicated by the comments? I should have been more explicit, but all residual properties in CoolProp/REFPROP are always defined as X^r(T,rho) = X(T,rho) - X^{(ig)}(T,rho), so I don't think we should fiddle with the public residual methods in the AbstractState. I would fully endorse updating the docs to make clear that this is what is actually calculated for smolar_residual. It would be good though to do what you started and make smolar_residual a generic method that calls calc_smolar_residual, and then calc_smolar_residual can have a default implementation that can be overwritten by other backends (e.g. PC-SAFT). Any changes to the abstract base class needs to have some discussion before those changes are made, since it might have some surprising side-effects. |
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But adding the residual methods as you did is a good idea, can you also add the default implementations? |
src/AbstractState.cpp
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| @@ -556,6 +564,10 @@ double AbstractState::smolar(void){ | |||
| if (!_smolar) _smolar = calc_smolar(); | |||
| return _smolar; | |||
| } | |||
| double AbstractState::smolar_residual_trho(void){ | |||
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I would remove this function
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Good point, I will fix that.
src/AbstractState.cpp
Outdated
| case iHmass: | ||
| return hmass(); | ||
| case iSmolar: | ||
| return smolar(); | ||
| case iSmolar_residual: | ||
| return gas_constant()*(tau()*dalphar_dTau() - alphar()); | ||
| case iSmolar_residual_trho: |
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This should go back to smolar_residual
| @@ -421,6 +423,8 @@ double AbstractState::keyed_output(parameters key) | |||
| return umass(); | |||
| case iGmolar: | |||
| return gibbsmolar(); | |||
| case iGmolar_residual: | |||
| CoolPropDbl calc_gibbsmolar_nocache(CoolPropDbl T, CoolPropDbl rhomolar); | ||
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| CoolPropDbl calc_helmholtzmolar(void); | ||
| CoolPropDbl calc_cpmolar_idealgas(void); | ||
| CoolPropDbl calc_pressure_nocache(CoolPropDbl T, CoolPropDbl rhomolar); | ||
| CoolPropDbl calc_smolar(void); | ||
| CoolPropDbl calc_smolar_nocache(CoolPropDbl T, CoolPropDbl rhomolar); | ||
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| CoolPropDbl calc_smolar_residual_trho(void) { return gas_constant()*(tau()*dalphar_dTau() - alphar()); } |
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Yup, this is the right approach for the default implementation
| @@ -40,7 +40,9 @@ const parameter_info parameter_info_list[] = { | |||
| {iCvmass, "Cvmass", "O", "J/kg/K", "Mass specific constant volume specific heat", false}, | |||
| {iCp0molar, "Cp0molar", "O", "J/mol/K", "Ideal gas molar specific constant pressure specific heat",false}, | |||
| {iCp0mass, "Cp0mass", "O", "J/kg/K", "Ideal gas mass specific constant pressure specific heat",false}, | |||
| {iSmolar_residual, "Smolar_residual", "O", "J/mol/K", "Residual molar entropy (sr/R = tau*dar_dtau-ar)",false}, | |||
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Please put this back, but maybe write sr/R = s(T,rho)-s^0(T,rho) instead of what I did
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I think this PR can be closed, right? |
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Yes, that's right. I copied all the changes over to that new PR. Thanks!
…On Thu, Apr 9, 2020, 19:15 Ian Bell ***@***.***> wrote:
I think this PR can be closed, right?
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Requirements
Description of the Change
Renamed entropy, enthalpy, and Gibbs energy functions for PC-SAFT because they only calculate the residual properties.
Benefits
Clarity
Possible Drawbacks
[ What are the possible side-effects or negative impacts of the code change? ]
Verification Process
I ran the unit tests. The PC-SAFT unit tests passed (except for the entropy test, which has a separate issue that needs to be fixed), and the other test that failed did not seem related to the changes made.
Applicable Issues
[ Enter any applicable Issues here. Use
Closes #????if this PR closes an open issue. ]