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* Delete .classpath * Delete .factorypath * update git ignore * Added new atractive term AtractiveTermMatCopPRUMRNew added * added new alpha term for UMR * disabled test * changed to use NeqSim MSAccessDB * rm invalid doc * pipe friction update * update * Update AtractiveTermMatCopPRUMRNew.java * Update ComponentEos.java * Update NeqSimDataBase.java * updates * update * updated UMR Matchias Copeman terms * update * update * further updates * small change in test * updated attr.term * updated vol.translation * just added simle PR for testing a calculation * attractive term for nitrogen * just added simper models to test some calculations * set volume correction to fals * updated devcontainer file (#410) (#411) * updated devcontainer file (#410) (#412) * added molar volume of two phases * arbitrary value for translation and tests * modified componentPRvolcor to make zero the outer get volume correction * several changes needed to be discussed * completion of the derivatives of small g and small f with regards to model B,C,V parameters * loc_C,getc,getC definitions..needing to be connected to translation definition 9with calcCi or omething) * numerous * Completion of the dF derivatives-needing changes in the way that all translation elements should be expressed e.g.Ci,cij etc * changes in volcor and some tests * Ci change * some more changes * more changes..(needing assitance to some printouts for all the F functions in order to compare with mine) * more * updates * chenges in tests * test to be checked by professor * I think I fixed the systemtest(see microsoft teams for details) * fetching also the rest of the derivative tests with the fixed setup * some changes * Added UMRCPA * modified component UMRCPA to not use the fixed a,b,c values of the CPA scheme! * use of attractive term via the PR EoS * some modifications that I did to test the volcor functions in mixtures * setting up the CPA version of my code into Neqsim through overriding the createComponent class+super.method+changing the Tc,Pc,w,ε,β parameters * ... * printouts for fugacities * print outs of fugacity * ... * added in CPA an enthalpy printout * added Hres+Cv * TESTING... * ... * fixed the bug * further sychronisation of my CPA with Neqsim CPA * crossscheck of new mc5 attractive term with my code * fixed radial g in PhaseSRKCPA * fixed componentSRKCPA original and simplified * several changes... * now all fug derivative tests are run for all phases * crosscheck of arbitrary PR_MC5_CPA EoS with my code-->on the road of fitting * small correction in dn derivative test * fugacities test fix * further correction * further fix Co-authored-by: Åsmund Våge Fannemel <ASMF@equinor.com> Co-authored-by: Åsmund Våge Fannemel <34712686+asmfstatoil@users.noreply.github.com> Co-authored-by: GeorgeT <47523587+akisTas@users.noreply.github.com>
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729 changes: 367 additions & 362 deletions
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src/main/java/neqsim/thermo/ThermodynamicModelTest.java
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src/main/java/neqsim/thermo/component/Component.java
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src/main/java/neqsim/thermo/component/ComponentPRvolcor.java
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,191 @@ | ||
| /* | ||
| * System_SRK_EOS.java | ||
| * | ||
| * Created on 8. april 2000, 23:14 | ||
| */ | ||
| package neqsim.thermo.component; | ||
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| import neqsim.thermo.phase.PhaseInterface; | ||
| import neqsim.thermo.phase.PhasePrEosvolcor; | ||
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| /** | ||
| * | ||
| * @author Even Solbraa | ||
| * @version | ||
| */ | ||
| public class ComponentPRvolcor extends ComponentPR { | ||
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| private static final long serialVersionUID = 1000; | ||
| private double c; | ||
| // private double calcc; | ||
| public double[] Cij = new double[MAX_NUMBER_OF_COMPONENTS]; | ||
| public double Ci = 0; | ||
| public ComponentPRvolcor(int number, double TC, double PC, double M, double a, double moles) { | ||
| super(number, TC, PC, M, a, moles); | ||
| } | ||
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| /// ** {@inheritDoc} */ | ||
| // @Override | ||
| public double calcc() { | ||
| return (0.1154 - 0.4406 * (0.29056 - 0.08775 * getAcentricFactor())) * R * criticalTemperature | ||
| / criticalPressure; | ||
| } | ||
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| // derivative of translation with regards to temperature | ||
| public double calccT() { | ||
| return 0.; | ||
| } | ||
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| // second derivative of translation with regards to temperature*temperature | ||
| public double calccTT() { | ||
| return 0.; | ||
| } | ||
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| public ComponentPRvolcor(String component_name, double moles, double molesInPhase, | ||
| int compnumber) { | ||
| super(component_name, moles, molesInPhase, compnumber); | ||
| c = (0.1154 - 0.4406 * (0.29056 - 0.08775 * getAcentricFactor())) * R * criticalTemperature | ||
| / criticalPressure; | ||
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| } | ||
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| /** {@inheritDoc} */ | ||
| @Override | ||
| public void init(double temp, double pres, double totMoles, double beta, int type) { | ||
| super.init(temp, pres, totMoles, beta, type); | ||
| c = calcc(); | ||
| } | ||
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| /** {@inheritDoc} */ | ||
| // @Override | ||
| public double getc() { | ||
| return c; | ||
| } | ||
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| public double getcT() { | ||
| return 0; | ||
| } | ||
|
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| // derivative of C with regards to mole fraction | ||
| /** {@inheritDoc} */ | ||
| @Override | ||
| public void Finit(PhaseInterface phase, double temp, double pres, double totMoles, double beta, | ||
| int numberOfComponents, int type) | ||
| { | ||
| super.Finit(phase, temp, pres, totMoles, beta, numberOfComponents, type); | ||
| Ci = ((PhasePrEosvolcor) phase).calcCi(componentNumber, phase, temp, pres, numberOfComponents); | ||
| if (type >= 2) { | ||
| ((PhasePrEosvolcor) phase).calcCiT(componentNumber, phase, temp, pres, | ||
| numberOfComponents); | ||
| } | ||
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| if (type >= 3) { | ||
| for (int j = 0; j < numberOfComponents; j++) { | ||
| Cij[j] = ((PhasePrEosvolcor) phase).calcCij(componentNumber, j, phase, temp, pres, | ||
| numberOfComponents); | ||
| } | ||
| } | ||
| } | ||
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| public double getCi() { | ||
| return Ci; | ||
| } | ||
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| public double getCij(int j) { | ||
| return Cij[j]; | ||
| } | ||
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| // depending on the type of the volume translation (T-dependent or not) these sould be properly | ||
| // modified | ||
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| // second derivative of C with regards to mole fraction and temperature | ||
| public double getCiT() { | ||
| return 0; | ||
| } | ||
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| public double getcTT() { | ||
| return 0; | ||
| } | ||
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| /// ** {@inheritDoc} */ do I need this inheritDoc thing? | ||
| @Override | ||
| public double dFdN(PhaseInterface phase, int numberOfComponents, double temperature, | ||
| double pressure) { | ||
| return phase.Fn() + phase.FB() * getBi() + phase.FD() * getAi() | ||
| + ((PhasePrEosvolcor) phase).FC() * getCi(); | ||
| } | ||
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| public double getFC(PhaseInterface phase, int numberOfComponents, double temperature, | ||
| double pressure) { | ||
| return ((PhasePrEosvolcor) phase).FC(); | ||
| } | ||
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| /** {@inheritDoc} */ | ||
| @Override | ||
| public double dFdNdT(PhaseInterface phase, int numberOfComponents, double temperature, | ||
| double pressure) { | ||
| double loc_CT = ((PhasePrEosvolcor) phase).getCT(); | ||
| double loc_FnC = ((PhasePrEosvolcor) phase).FnC(); | ||
| double loc_FBC = ((PhasePrEosvolcor) phase).FBC(); | ||
| double loc_FCD = ((PhasePrEosvolcor) phase).FCD(); | ||
| double loc_FC = ((PhasePrEosvolcor) phase).FC(); | ||
| double loc_FCT = ((PhasePrEosvolcor) phase).FTC(); | ||
| double loc_FCC = ((PhasePrEosvolcor) phase).FCC(); | ||
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| return loc_FnC * loc_CT | ||
| + (phase.FBT() + phase.FBD() * phase.getAT() + loc_FBC * loc_CT) * getBi() | ||
| + (loc_FCD * loc_CT + phase.FDT()) * getAi() | ||
| + (loc_FCT + loc_FCC * loc_CT + loc_FCD * phase.getAT()) * getCi() + phase.FD() * getAiT() | ||
| + loc_FC * getCiT(); | ||
| } | ||
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| /** {@inheritDoc} */ | ||
| @Override | ||
| public double dFdNdN(int j, PhaseInterface phase, int numberOfComponents, double temperature, | ||
| double pressure) { | ||
| double loc_FnC = ((PhasePrEosvolcor) phase).FnC(); | ||
| double loc_FBC = ((PhasePrEosvolcor) phase).FBC(); | ||
| double loc_FCD = ((PhasePrEosvolcor) phase).FCD(); | ||
| double loc_FC = ((PhasePrEosvolcor) phase).FC(); | ||
| double loc_FCC = ((PhasePrEosvolcor) phase).FCC(); | ||
| ComponentEosInterface[] comp_Array = (ComponentEosInterface[]) phase.getcomponentArray(); | ||
| // return phase.FnB() * (getBi() + comp_Array[j].getBi()) | ||
| // + phase.FBD() * (getBi() * comp_Array[j].getAi() + comp_Array[j].getBi() * getAi()) | ||
| // + phase.FB() * getBij(j) + phase.FBB() * getBi() * comp_Array[j].getBi() | ||
| // + phase.FD() * getAij(j); | ||
| double loc_Cj = ((ComponentPRvolcor) comp_Array[j]).getCi(); | ||
| // double loc_Ci= ((ComponentPRvolcor))component.getCi(); | ||
| return phase.FnB() * comp_Array[j].getBi() + loc_FnC * loc_Cj | ||
| + (phase.FnB() + phase.FBB() * comp_Array[j].getBi() + loc_FBC * loc_Cj | ||
| + phase.FBD() * comp_Array[j].getAi()) * getBi() | ||
| + phase.FB() * getBij(j) | ||
| + (loc_FnC + loc_FCC * loc_Cj + loc_FBC * comp_Array[j].getBi() | ||
| + loc_FCD * comp_Array[j].getAi()) * getCi() | ||
| + loc_FC * getCij(j) + (loc_FCD * loc_Cj + phase.FBD() * comp_Array[j].getBi()) * getAi() | ||
| + phase.FD() * getAij(j); | ||
| } | ||
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| /** {@inheritDoc} */ | ||
| @Override | ||
| public double dFdNdV(PhaseInterface phase, int numberOfComponents, double temperature, | ||
| double pressure) { | ||
| double loc_FCV = ((PhasePrEosvolcor) phase).FCV(); | ||
| return phase.FnV() + phase.FBV() * getBi() + phase.FDV() * getAi() + loc_FCV * getCi(); | ||
| } | ||
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| // Remember this trick above that professor showed to you...you can call whichever new F | ||
| // expression | ||
| // you need by first specifying the type "PhasePrEosvolcor" | ||
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| } |
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