equinor / neqsim Goto Github PK

Is your feature request related to a problem? Please describe.
Troubleshooting is hard when multiple objects can have no name.

Describe the solution you'd like
Later on, it shall be a requirement to provide name when creating a process simulation object.

call to the setMixingRule takes long time. Probably because of frequent calls the the neqsm parameter database.

A reactive absorber could be used for operations such as:

• CO2 removal in alkanolamines
• H2S removal in alkanolamines
• etc.

Add adjuster unit operation. Adjuster will adjust one parameter of a unit operation/stream to obtain a specification on a operation/stream. This can eg. be to adjust a temperature of a stream to obtain a circondenbar, or to adjust a temperature to have a hydrate temperate above a given temperature.

Is your feature request related to a problem? Please describe.
Some API solution using neqsim refers to components with short names and they are not found in the database.

Describe the solution you'd like
Aliases for components:
("H2O", "water");
("N2", "nitrogen");
("C1", "methane");
("C2", "ethane");
("C3", "propane");
("iC4", "i-butane");
("nC4", "n-butane");
("iC5", "i-pentane");
("nC5", "n-pentane");
("C6", "n-hexane");
("O2", "oxygen");
("He", "helium");
("H2", "hydrogen");
("Ar", "argon");
("nC7", "n-heptane");
("nC8", "n-octane");
("nC9", "n-nonane");

Describe alternatives you've considered
Change naming in api callers

Additional context
Add any other context or screenshots about the feature request here.

error in calca() when using UMR-PRU for pseudo components

After calling phaseToSystem we need to call initProperties before doing a TPflash().

Need to be chacked

%neqsimBugTest1

%% Del 1 dette fluidet gir kun gass og vannfase

EOS ='srk';%'srk';%,'pr','srk-mc','cpa','umr','ScRK','srk-sc?'}; SRK er ikke så god for vanninnhold i gass
LumpingModel = 'PVTlumpingModel'; %Lik som PVTsim
TBPModel = 'PedersenSRK'; %Samme som PVTsim - 'PedersenSRK' 'PedersenPR' 'PedersenSRKHeavyOil' 'RiaziDaubert' Hvordan regnes Tc Pc omega ut fra tetthet og molmasse
NumOfLumpComp = 8;
useVolumeCorrection = true; %Peneloux(T)
MixingRule = 2;%1 no (kij=0), 2 classic, 3 Huron-Vidal, 4 Huron-Vidal, 5 Wong-Sandler, 6 Wong-Sandler, 7 classic-CPA, 8classicdT, 9 classic-CPA_T, 10-classic-CPA, 11 no (kij=0), 15 UMR misingrule(litt spesiell fikk string av even s) %Det er 10 som altid brukes sammen med cpa Solbraa. For SRK og PR brukes classic
Temperature = 10;
Pressure = 10;
%NS.M = M;
%NS.D = D;

NewCompNames = {'water' 'nitrogen' 'CO2' 'methane' 'ethane' 'propane' 'i-butane' 'n-butane' 'i-pentane' 'n-pentane' 'C6' 'C7' 'C8' 'C9' 'C10'};
MolPerec = {82.9707025451087;0.0666535828183601;0.187774718697095;7.07713715223514;0.672169855603433;0.444683688548461;0.209592099228299;0.693295020726668;0.508165688139769;0.617972892756542;0.739241843326858;1.07508213518218;1.07194639755329;0.611128861166707;3.05445351890850};
MW = {18.0153400000000;28.0135200000000;44.0098000000000;16.0428800000000;30.0698200000000;44.0967600000000;58.1237000000000;58.1237000000000;72.1506400000000;72.1506400000000;86.1775867056215;90.3453968002884;102.444091821606;115.600000000000;225.500000000000};
Dens = {999;-1.00000000000000e+19;-1.00000000000000e+19;-1.00000000000000e+19;-1.00000000000000e+19;-1.00000000000000e+19;-1.00000000000000e+19;-1.00000000000000e+19;-1.00000000000000e+19;-1.00000000000000e+19;667.260997428482;746.520646503967;770.940816960541;790.100000000000;841.100000000000};

     if ~exist('processOperations','var')
         pathNeqSim_gebh_jip
     end

pressure = 10.0; % pressure in bara
temperature = 303.15; % temperature in Kelvin
fluid = thermo(EOS, temperature,pressure); % setting EOS P and T
fluid.getCharacterization().setTBPModel(TBPModel); % setting characterization method (method to calculate Tc, Pc, omega)
fluid.getCharacterization().setLumpingModel(LumpingModel); % setting lumping model to pedersen
fluid.getCharacterization().getLumpingModel().setNumberOfLumpedComponents(NumOfLumpComp); % set number of lumped components to 8
fluid.useVolumeCorrection(useVolumeCorrection);
PlusFluid = false;

for i=1:length(NewCompNames)
if isequal(NewCompNames{i},'NaCl')
fluid.addSalt(NewCompNames{i}, MolPerec(i));
elseif isequal(NewCompNames{i},'C6')||isequal(NewCompNames{i},'C7')||isequal(NewCompNames{i},'C7')||isequal(NewCompNames{i},'C8')||isequal(NewCompNames{i},'C9')
fluid.addTBPfraction(NewCompNames{i}, MolPerec{i}, MW{i}./1000,Dens{i}./1000);
PlusFluid = true;

elseif isequal(NewCompNames{i},'C10')
    fluid.addPlusFraction('C10',MolPerec{i}, MW{i}./1000, Dens{i}./1000); 
     PlusFluid = true;
     
else
    fluid.addComponent(NewCompNames{i}, MolPerec{i}); 
end

end

% fluid_1.addComponent('methane', 10.0); % adding 1 mole/second of methane
% fluid_1.addTBPfraction('C7', 1.0, 0.102, 0.81); % adding 1 mole/second of a pseudo component C7
% fluid_1.addTBPfraction('C8', 0.4, 0.112, 0.83); % adding 1 mole/second of a psceudo component C8
% fluid_1.addTBPfraction('C9', 0.2, 0.132, 0.84); % adding 1 mole/second of a pseudo component C9
% fluid_1.addPlusFraction('C10', 1.0, 0.190, 0.87); %adding plus fraction C10+

if PlusFluid
fluid.getCharacterization().characterisePlusFraction(); % characterisation of the fluid if plus fluid
end
fluid.createDatabase(1); % reading parameters from database
%fluid_1.setMixingRule('HV', 'UNIFAC_UMRPRU');

fluid.setMixingRule(MixingRule); % using classic mixing rule with kij

fluid.setMultiPhaseCheck(1) % specifies that calculations should check for more than two fluid phases

%TPflash(fluid_1,0); % doing a TPflash at constant pressure and temperature
fluid.init(0);%initiate fluid

%% Del to dette resulterer i kun olje og vannfase

Temperature = 9;
Pressure = 23.5;
fluid.setTemperature(Temperature , 'C');
fluid.setPressure(Pressure , 'barg');
TPflash(fluid,0);
%fluid.init(0);
fluid.initPhysicalProperties(); %denne må gjøres for å få ut bare fysiskalske
fluid.initProperties();

A number of linear algebra libraries are used in NeqSim. The currently most used linear algebra library in NeqSim is EJML (because of speed). Examples of such libraries are JAMA, EJML, ojAlgo, commonMath, etc. To reduce the number of libraries used (eg. standardize on EJML), and make it easy to change to another library, a linear algebra wrapper could be made in NeqSim. This will improve flexibility and reduce number of dependencies.

https://github.com/equinor/neqsim/wiki/Adding-a-thermodynamic-model-in-NeqSim

Describe the bug
The basic program is working - with the exception of the throttling valve (reduction from 300 to 4 bar). I noticed that the drop in temperature due to the JT effect is not always consistent with the pressure drop.

I made the short program attached only to test the valve, to compare enthalpies of the inlet and outlet stream. It seems that, whenever the temperature is dropped below -20°C in the inlet, the throttling process is no longer isenthalpic. What can explain this?

I am using Peng Robinson EoS, and simulating the same valve conditions using Hysys with PR, I do get an isenthalpic process.

Is your feature request related to a problem? Please describe.
Add possibility to read density profile in a detailed compressor calculation

Describe the solution you'd like
Read density profile in a compressor

add new thermodynamic model for CO2 based on article Duan and Sun (2003).

Duan and Sun (2003).pdf

NeqSim currently is not able to do wax calculations when working with the embedded Derby database (because of need of creating temporary tables).

A solution for wax calculations using the embedded database needs to be developed.

Describe the bug
Fails cloning Diffusion objects when components have been added after creation

To Reproduce
SystemInterface airThermoSystem = neqsim.thermo.Fluid.create("air");
airThermoSystem.addComponent("CO2", 0.0);
airThermoSystem.addComponent("water", 0.0);
airThermoSystem.clone();

Expected behavior
Not failing in Diffusivity clone method

Describe the bug
Compressor runsj in ifinite loop when surge factor is 1 (eg. 1.05 is ok)

To Reproduce

Expected behavior
Should converge fast

Screenshots

Desktop (please complete the following information):

• OS: [e.g. iOS]
• Browser [e.g. chrome, safari]
• Version [e.g. 22]

Smartphone (please complete the following information):

• Device: [e.g. iPhone6]
• OS: [e.g. iOS8.1]
• Browser [e.g. stock browser, safari]
• Version [e.g. 22]

Additional context
Add any other context about the problem here.

Implement all F-function derivatives for GERG-2008 EoS.

NeqSim release jars should be Published to Central Maven Repository.

https://maven.apache.org/repository/guide-central-repository-upload.html

https://docs.github.com/en/actions/publishing-packages/publishing-java-packages-with-maven

The only file I need is the jar file? It contains the GUI or is only the calculation librarie?

Thanks

Implement the possibility to specify GERG-2008 to be used internally in the compressor unit operation (eg. for calculation of power, polytropic head and efficiency). See example following code:

#Setting up a simple process (one stream and a compressor)
inputStream = stream(naturalgasFluid)
compressor_1 = compressor(inputStream)
compressor_1.setOutletPressure(pressureOut)
compressor_1.setUseGERG2008(True)

Increase robustness when NaCl is included in composition.

Neqsim sometimes crash when NaCl is included in the composition of a system(fluid). This problem arises when working with the gas resulting from a flash of a mixture containing NaCl.

Pump calculations based on pump curves would be a benefit for certain process calculations.

Can improved performance be obtained by using the GaalVM and possibly compile to native libraries? https://www.graalvm.org/

See how to do it using maven:

https://www.graalvm.org/reference-manual/native-image/

Update neqsim to use log4j2 (uses log4j today).
https://logging.apache.org/log4j/2.x/

See migration:
https://logging.apache.org/log4j/2.x/manual/migration.html

A new and updated version of UMR EoS will be added based on Akis work:

Preparations:

1. Use https://desktop.github.com/
2. Use Visual Studio Code (with Java extensions)

updated method setTotalFlowRate()

init(0) is used to update fluid before flow is updated. This is a relatively computational demanding task, and a method should be developed that does not use init(0).

I was trying to create a absorption-distillation example in Python but I had problems displaying the results from the DistillationColumns.
So I switched to Java.
Following the instructions at this link:
https://colab.research.google.com/drive/1XkQ_CrVj2gLTtJvXhFQMWALzXii522CL#scrollTo=rLXNemTqighl

I'm trying to run the following:
java -cp NeqSim.jar neqsim.processSimulation.processEquipment.distillation.DistillationColumn

This causes a lot of "ERROR neqsim.thermo.phase.PhaseEos - Failed to solve for molarVolume within the iteration limit".
Can you please help me?

Hello,

On project page https://equinor.github.io/neqsimhome/ link to NeqSim .NET leads to https://github.com/equinor/neqsimcapeopen which is not found (404).

What is the status of NeqSim .NET project? Is it available anywhere? Any plans regarding .Net version?

Describe the bug
Error when compression a mixture of gas, oil and water

Can you make a LumpingModel that lump in the same way as PVT-sim: keeping C6,..C9 and start lumping from C10.... Also it would be nice to the make names traceable f.eks C13-C15 etc.

Describe the bug
Dynamic process calculation test fails.

To Reproduce
See test in branch.

A NeqSim fluid should be made based on the Eclipse 300 text file format. Also it should be possible to write a neqsim fluid in the Eclipse fluid format.

getPhase(2) if only one phase

should report an error

1. Some components have a normal liquid density set to 0 in the database
2. Fix formula for calculating normal liquid density of components with 0 liquid density

Not possible to calculate properties when rate is 0.

Is it possible to create a function that force a plus fluid into an existing characterization, similar to add to common EOS in PVTsim?

NeqSim has been developed for a number of years. The java code style in neqsim has varied, and code documentation is often scarce.

There is a need to review the neqsim code - and update it according to standards such as:
https://google.github.io/styleguide/javaguide.html

funktion to get plus flom characterized fluid:

.getPlusfromChar('C10')

.getPlusfromChar(charfluid,'C10')

Need examples where we have problems converging TP flash calculation

implement add to common EOS

Error when calculating vapour pressure line close to critical point of single components

Example when we get the error:
In this case the water in the feed is set to 0, and we will only have gas and oil in inlet separator.

feedFluid = {'ComponentName': ['water', 'MEG', "methane", "ethane", "propane","i-butane", "n-butane","i-pentane","n-pentane", "C6", "C7", "C8", "C9", "C10"],
'MolarComposition[-]': [0.0, 0.0, 80.0, 6.0, 2.0, 1.0, 1.0, 1.0, 1.0, 1.0, 1.0, 0.01, 0.05, 1.01],
'MolarMass[kg/mol]': [None,None, None,None,None,None, None,None,None,0.091, 0.110, 0.13, 0.15, 0.25],
'RelativeDensity[-]': [None,None, None,None,None,None, None,None,None, 0.7, 0.78, 0.8, 0.82, 0.83]
}

    reservoirFluiddf = pd.DataFrame(feedFluid)
    fluid7 = fluid_df(reservoirFluiddf).autoSelectModel()
    fluid7.setMultiPhaseCheck(True)

    glycolFluid = fluid7.clone()
    glycolFluid.setMolarComposition([0.0, 1.0, 0.0, 0.0,0.0, 0.0,0.0, 0.0,0.0, 0.0,0.0, 0.0,0.0,0.0])

    clearProcess()
    feedStream = stream(fluid7)
    feedStream.setFlowRate(self.feedFlowRateTrain1, 'kg/hr')
    feedStream.setPressure(self.feedPressure, 'barg')
    feedStream.setTemperature(self.feedTemperature, 'C')

    glycolFeedStream = stream(glycolFluid)
    glycolFeedStream.setFlowRate(self.glycolFlow, 'kg/hr')
    glycolFeedStream.setTemperature(self.feedTemperature, 'C')
    glycolFeedStream.setPressure(self.feedPressure, 'barg')

    slugCatcher = separator3phase(feedStream)

    saturatedGasFromSlugCatcher = saturator(slugCatcher.getGasOutStream(), 'water saturator')

    valve1 = valve(saturatedGasFromSlugCatcher.getOutStream())
    valve1.setOutletPressure(self.sep1Pressure)

    sep1 = separator3phase(valve1.getOutStream())

    cooler1 = cooler(sep1.getGasOutStream())
    cooler1.setOutTemperature(self.cooler1T, 'C')

    sep2 = separator3phase(cooler1.getOutStream())

    mixer1 = mixer()
    mixer1.addStream(sep2.getGasOutStream())
    mixer1.addStream(glycolFeedStream)

    expander1 = expander(mixer1.getOutStream(), self.expOutPressure)

    sep3 = separator3phase(expander1.getOutStream())

    gasToExport = stream(sep3.getGasOutStream())

    runProcess()

Invitation link on
https://github.com/equinor/neqsim/wiki/Getting-started-as-a-NeqSim-developer
is no longer active.

1. Flash a fluid at 0 kg / s flow
2. HV seems to crash
3. Write C10 + for composition to characterized fluid.
4. UMR mixing rule appears to crash with pseudo components.