[WIP] Feature nppr gas by Blanca-Fuentes · Pull Request #1718 · su2code/SU2

Blanca-Fuentes · 2022-07-20T09:23:13Z

Proposed Changes

Added non-polytropic Peng-Robinson (NPPR_GAS) equation of state (CP temperature dependant model): the specific heat ratio is not constant but a polynomial model (CP = n0 + n1T + n2T^2 +n3T^3 + n4T^4) can be specified for the specific heat via the input file option (CP_POLYCOEFFS)
The NPPR fluid model uses the polytropic Peng-Robinson fluid model as a base class. Therefore, the polytropic Peng-Robinson class now allows for inheritance.
New test case (TestCases/nicfd/edge_NPPR) to compare the results of the NPPR with a constant CP model (CP = n0) and the polytropic Peng-Robinson models. The results of both simulations for this test case are equivalent.

Related Work

The polytropic Peng-Robinson remains functionally unchanged.

PR Checklist

Put an X by all that apply. You can fill this out after submitting the PR. If you have any questions, don't hesitate to ask! We want to help. These are a guide for you to know what the reviewers will be looking for in your contribution.

I am submitting my contribution to the develop branch.
My contribution generates no new compiler warnings (try with the '-Wall -Wextra -Wno-unused-parameter -Wno-empty-body' compiler flags, or simply --warnlevel=2 when using meson).
My contribution is commented and consistent with SU2 style.
I have added a test case that demonstrates my contribution, if necessary.
I have updated appropriate documentation (Tutorials, Docs Page, config_template.cpp) , if necessary.

… and updated author names and version numbers

…om prototypes in CNonPolytropicPengRobinson.hpp and CPengRobinson.hpp

lgtm-com · 2022-07-20T10:28:00Z

This pull request introduces 3 alerts when merging e7adc45 into 27efebd - view on LGTM.com

new alerts:

3 for Comparison result is always the same

WallyMaier · 2022-07-20T15:45:26Z

TestCases/nicf/LS89/turb_SA_NPPR.cfg

+%                                                                              %
+% SU2 configuration file                                                       %
+% Case description: VKI turbine                                                %
+% Author: M. Pini, S. Vitale                                                   %


These headers can be updated/removed.

WallyMaier · 2022-07-20T15:45:50Z

TestCases/nicf/edge/edge_NPPR.cfg

+% SU2 configuration file                                                       %
+% Case description: Inviscid, internal flow over a bump in a channel           %
+% Author: Thomas D. Economon, B. Fuentes Monjas                                %
+% Institution: Stanford University                                             %


WallyMaier · 2022-07-20T15:52:56Z

SU2_CFD/obj/Makefile.am

  ../src/fluid/CIdealGas.cpp \
  ../src/fluid/CFluidScalar.cpp \
  ../src/fluid/CPengRobinson.cpp \
+    ../src/fluid/CNonPolytropicPengRobinson.cpp \


Suggested change

../src/fluid/CNonPolytropicPengRobinson.cpp \

../src/fluid/CNonPolytropicPengRobinson.cpp \

WallyMaier · 2022-07-20T15:54:28Z

SU2_CFD/src/fluid/CNonPolytropicPengRobinson.cpp

+  atanh = (log(1.0 + (b * sqrt2 / (v + b))) - log(1.0 - (b * sqrt2 / (v + b)))) / 2.0;
+
+  fv = atanh;


Suggested change

atanh = (log(1.0 + (b * sqrt2 / (v + b))) - log(1.0 - (b * sqrt2 / (v + b)))) / 2.0;

fv = atanh;

su2double fv = (log(1.0 + (b * sqrt2 / (v + b))) - log(1.0 - (b * sqrt2 / (v + b)))) / 2.0;;

WallyMaier · 2022-07-20T15:56:45Z

SU2_CFD/src/fluid/CNonPolytropicPengRobinson.cpp

+}
+
+su2double CNonPolytropicPengRobinson::T_v_h(su2double v, su2double h){
+  su2double toll = 1e-9, FACTOR = 0.2;


Would you be able to add more comments in these functions? A lot is happening here in the code but many variables/code sections don't provide insight to the function.

pcarruscag

Welcome to SU2! Please add yourself to AUTHORS.md

pcarruscag · 2022-07-21T00:16:46Z

Common/src/CConfig.cpp

+  if ((Kind_Solver == MAIN_SOLVER::EULER || Kind_Solver == MAIN_SOLVER::NAVIER_STOKES || Kind_Solver == MAIN_SOLVER::RANS) && (Kind_FluidModel == NPPR_GAS)) {
+    su2double sum = 0.0;
+    for (unsigned short iVar = 0; iVar < N_POLY_COEFFS; iVar++) {
+      sum += GetCp_PolyCoeff(iVar);
+    }
+    if ((N_POLY_COEFFS < 1) || (sum == 0.0))
+      SU2_MPI::Error(string("CP_POLYCOEFFS not set for fluid model NPPR_GAS. \n"), CURRENT_FUNCTION);
+  }


Do this check together with the one above for INC_IDEAL_GAS_POLY, do not duplicate code please.
Do not check for N_POLY_COEFFS, it is a constant now.

pcarruscag · 2022-07-21T00:17:37Z

SU2_CFD/include/fluid/CNonPolytropicPengRobinson.hpp

+ * \brief Child class for defining the non-polytropic Peng-Robinson model.
+ * \author: B. Fuentes Monjas
+ */
+class CNonPolytropicPengRobinson : public CPengRobinson {


Suggested change

class CNonPolytropicPengRobinson : public CPengRobinson {

class CNonPolytropicPengRobinson final : public CPengRobinson {

pcarruscag · 2022-07-21T00:18:40Z

SU2_CFD/include/fluid/CNonPolytropicPengRobinson.hpp

+  /*!
+   * \brief Internal function for the calculation of the integral of CP(IG)/T over T
+   */
+  su2double ComputeIntegralCp0_T_DT(su2double T);


const everything you can please

Suggested change

su2double ComputeIntegralCp0_T_DT(su2double T);

su2double ComputeIntegralCp0_T_DT(su2double T) const;

pcarruscag · 2022-07-21T00:19:25Z

SU2_CFD/include/fluid/CPengRobinson.hpp

@@ -110,7 +110,7 @@ class CPengRobinson final : public CIdealGas {
   */
  void ComputeDerivativeNRBC_Prho(su2double P, su2double rho) override;


Where applicable switch the old overrides to final (now that this class is not final anymore).

Suggested change

void ComputeDerivativeNRBC_Prho(su2double P, su2double rho) override;

void ComputeDerivativeNRBC_Prho(su2double P, su2double rho) final;

pcarruscag · 2022-07-21T00:20:08Z

SU2_CFD/src/fluid/CNonPolytropicPengRobinson.cpp

+CNonPolytropicPengRobinson::CNonPolytropicPengRobinson(su2double gamma, su2double R, su2double Pstar, su2double Tstar, su2double w, const CConfig *config)
+    : CPengRobinson (gamma, R, Pstar, Tstar, w) {
+  Temperature = TstarCrit; // Initialization of Temperature to critical value


run clang-format on the new files you are adding.

pcarruscag · 2022-07-21T00:35:25Z

SU2_CFD/src/fluid/CNonPolytropicPengRobinson.cpp

+
+  d = (v * v + 2 * b * v - b * b);
+
+  atanh = (log(1.0 + (b * sqrt2 / (v + b))) - log(1.0 - (b * sqrt2 / (v + b)))) / 2.0;


don't use the name of a function as a variable, also, why didn't you use the atanh function directly? it's in the header

pcarruscag · 2022-07-21T00:41:34Z

SU2_CFD/src/fluid/CNonPolytropicPengRobinson.cpp

+  su2double f, fv, C0, C1, C2, C4, C6, C8, C10, T, d, atanh;
+  su2double x1, x2, xmid, dx, fx1, fx2, fmid = 1.0, rtb;
+  su2double sqrt2 = sqrt(2.0);


introduce variables as you use them and make everything you can const

pcarruscag · 2022-07-21T00:43:40Z

SU2_CFD/src/fluid/CNonPolytropicPengRobinson.cpp

+  fx1 = C0 + (C1 * x1) + (C2 * x1 * x1) + (C4 * x1 * x1 * x1 * x1) + (C6 * x1 * x1 * x1 * x1 * x1 * x1) +
+        (C8 * x1 * x1 * x1 * x1 * x1 * x1 * x1 * x1) +
+        (C10 * x1 * x1 * x1 * x1 * x1 * x1 * x1 * x1 * x1 * x1);
+  fx2 = C0 + (C1 * x2) + (C2 * x2 * x2) + (C4 * x2 * x2 * x2 * x2) + (C6 * x2 * x2 * x2 * x2 * x2 * x2) +
+        (C8 * x2 * x2 * x2 * x2 * x2 * x2 * x2 * x2) + 
+        (C10 * x2 * x2 * x2 * x2 * x2 * x2 * x2 * x2 * x2 * x2);


Make a helper function to avoid repeating this, or at least a local lambda.
And please use pow(x, N) together with ffast-math the compiler does a better job than this linear unrolling.

pcarruscag · 2022-07-21T00:46:23Z

SU2_CFD/src/fluid/CNonPolytropicPengRobinson.cpp

+    cout << "Root must be bracketed for bisection in rtbis\n"
+            "No solution in the temperature range specified" << endl;
+  }
+  rtb = f < 0.0 ? (static_cast<void>(dx = x2 - x1), x1) : (static_cast<void>(dx = x1 - x2), x2);


Write a normal if statement please, this is not very readable.

pcarruscag · 2022-07-21T00:50:53Z

SU2_CFD/src/fluid/CNonPolytropicPengRobinson.cpp

+      int_cp0_T += coeffs_.at(i_cp) * log(T);
+    } else {
+      int_cp0_T += coeffs_.at(i_cp) * pow(T, i_cp) / (i_cp);


Do not use at on vectors or arrays, at checks bounds, here you are guaranteed to be within bounds.

stale · 2022-09-21T00:55:38Z

This issue has been automatically marked as stale because it has not had recent activity. It will be closed if no further activity occurs. If this is still a relevant issue please comment on it to restart the discussion. Thank you for your contributions.

Blanca-Fuentes and others added 4 commits June 24, 2022 10:58

Added non-polytropic PR gas fluid model files, test case config file,…

b3a4309

… and updated author names and version numbers

Added NPPR_GAS option for fluid models in config_template.cfg

7681b06

Removed unused variables from CNonPolytropicPengRobinson.cpp

00e6d42

Added mixxing turb_SA_NPPR configuration file and removed virtuals fr…

e7adc45

…om prototypes in CNonPolytropicPengRobinson.hpp and CPengRobinson.hpp

pr-triage bot added the PR: unreviewed label Jul 20, 2022

WallyMaier reviewed Jul 20, 2022

View reviewed changes

pcarruscag reviewed Jul 21, 2022

View reviewed changes

pcarruscag changed the title ~~Feature nppr gas~~ [WIP] Feature nppr gas Jul 21, 2022

pr-triage bot removed the PR: unreviewed label Jul 21, 2022

pcarruscag marked this pull request as draft July 21, 2022 00:51

stale bot added the stale label Sep 21, 2022

PENGYAN777 mentioned this pull request Oct 5, 2022

Coupling of SU2 and CoolProp #1782

Merged

6 tasks

stale bot closed this Nov 1, 2022

pr-triage bot added the PR: draft label Nov 1, 2022

This was referenced Nov 7, 2022

CoolProp fluid model #1806

Merged

[WIP]feature_coolprop thermodynamics model #1814

Merged

	../src/fluid/CNonPolytropicPengRobinson.cpp \
	../src/fluid/CNonPolytropicPengRobinson.cpp \

		atanh = (log(1.0 + (b * sqrt2 / (v + b))) - log(1.0 - (b * sqrt2 / (v + b)))) / 2.0;

		fv = atanh;

	class CNonPolytropicPengRobinson : public CPengRobinson {
	class CNonPolytropicPengRobinson final : public CPengRobinson {

	su2double ComputeIntegralCp0_T_DT(su2double T);
	su2double ComputeIntegralCp0_T_DT(su2double T) const;

		@@ -110,7 +110,7 @@ class CPengRobinson final : public CIdealGas {
		*/
		void ComputeDerivativeNRBC_Prho(su2double P, su2double rho) override;


		d = (v * v + 2 * b * v - b * b);

		atanh = (log(1.0 + (b * sqrt2 / (v + b))) - log(1.0 - (b * sqrt2 / (v + b)))) / 2.0;

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Blanca-Fuentes commented Jul 20, 2022

Proposed Changes

Related Work

PR Checklist

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stale bot commented Sep 21, 2022

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