equinor/neqsim-python

NeqSim is a library for calculation of fluid behavior, phase equilibrium and process simulation. This project is a Python interface to NeqSim.

NeqSim Python

NeqSim Python is part of the NeqSim project. NeqSim Python is a Python interface to the NeqSim Java library for estimation of fluid behavior and process design for oil and gas production. NeqSim Python toolboxes (eg. thermoTools and processTools) are implemented to streamline use of neqsim in Python. Examples of use are given in jupyter workbooks.

Releases

NeqSim Python is distributed as a pip package.

End-users should install neqsim python with some additional packages by running

pip install neqsim[interactive]

Getting Started

See the NeqSim Python Wiki for how to use NeqSim Python via Python or in Jupyter notebooks. Also see examples of use of NeqSim for Gas Processing in Colab. Learn and ask questions in Discussions for use and development of NeqSim.

Prerequisites

Java version 8 or higher (Java JDK) needs to be installed. The Python package JPype is used to connect Python and Java. Read the installation requirements for Jpype. Be aware that mixing 64 bit Python with 32 bit Java and vice versa crashes on import of the jpype module. The needed Python packages are listed in the NeqSim Python dependencies page.

Contributing

Please read CONTRIBUTING.md for details on our code of conduct, and the process for submitting pull requests.

Discussion forum

Questions related to neqsim can be posted in the github discussion pages.

Versioning

NeqSim use SemVer for versioning.

Licence

NeqSim is distributed under the Apache-2.0 licence.

Acknowledgments

A number of master and PhD students at NTNU have contributed to development of NeqSim. We greatly acknowledge their contributions.

neqsim-python's Issues

configure codespace / devcontainer.json

Enable good integration and use of codespace for development. devcontainer.json needs to be configured.

https://sparrow.dev/devcontainers-quickstart/

No component with name...

Dear Even Solbraa,

I updated neqsim to the last version (2.2.32 --> 2.3.1) and I am now getting an error message while running the following code:

from neqsim.thermo import fluid

gas = {"methane": 95, "nitrogen": 1, "CO2": 0.2, "ethane": 1, "propane": 0.6, "butane": 0.3, "pentane": 0.08, "hexane": 0.4, "O2": 0.05}

for key in gas.keys():
    fluid().addComponent(key, gas[key], "mol/sec")

And I get the following messages:

No component with name: butane in database
No component with name: pentane in database
No component with name: hexane in database
No component with name: O2 in database

This was not the case before the update. Any idea about that?

Thanks for your support.

update neqsim version

python neqsim calcproperties gives error in new package version

prop = calcproperties(self.gas, temppresdict) was working in neqsim version 2.4.13

Upgraded to version 2.5.6. No the call gives error:

props = properties.calculate()
java.lang.java.lang.RuntimeException: java.lang.RuntimeException: unit not supported J/molK

Issue with ammonia in pipe function

Hello dear developers ! thanks for your wonderful work and amazing library!
I'm trying to use the pipe function in NeqSim and it's doing well but when i try to add ammonia into the stream it returns an error.
y code is as follows:
def NeqSim_calculations(q,D,df_comp,t,p1,p2,L,type):
if type == 'estimate quantity':
p1 = p198.0660.01
p2 = p298.0660.01
q = q*24/(1000000)
#Creating inlet fluid using SRK-EoS
names = list(df_comp.index.str.lower())
molefractions = list(df_comp['mol%']*0.01)
fluid1 = createfluid2(names, molefractions)
fluid1.setMixingRule('classic')
fluid1.setTemperature(t, "C")
fluid1.setPressure(p1, "bara")
fluid1.setTotalFlowRate(q, "MSm3/day")

        TPflash(fluid1)

        

        deltaElevation = 0.0
        pipeLength = L
        roughness= 0.00005
        diameter = D
        error = 10
        method = "friction theory"
        fluid1.getPhase('gas').getPhysicalProperties().setViscosityModel(method)
        fluid1.initProperties()
        while error > 0.01:
            fluid1.setTotalFlowRate(q, "MSm3/day")
            clearProcess()
            
            stream1 = stream(fluid1)
            
            pipeSimple = pipe(stream1, pipeLength, deltaElevation, diameter, roughness)
            runProcess()
            
            
            error = abs(p2 - pipeSimple.getOutStream().getFluid().getPressure('bara'))
            if p2 - pipeSimple.getOutStream().getFluid().getPressure('bara') > 0.01:
                q = q - q*0.01
            elif p2 - pipeSimple.getOutStream().getFluid().getPressure('bara') < -0.01:
                q = q + q*0.01
            else: error = error
            result = q*1000000/24
      return result

error message when i try to add "ammonia" is:
File "/home/appuser/venv/lib/python3.9/site-packages/neqsim/thermo/thermoTools.py", line 100, in createfluid2

return fluidcreator.create2(JString[:](names), JDouble[:](molefractions), unit)

java.lang.java.lang.RuntimeException: java.lang.RuntimeException: neqsim.util.exception.InvalidInputException: PhaseSrkEos:init - Input totalNumberOfMoles must be larger than zero.

i checked for the operating conditions i assumed and was fine as p1=1 bara p2= 0.6 bara, t =45 C

Could someone please guide me to add ammonia to my code? Thanks!

error: AttributeError: module 'neqsim' has no attribute 'thermodynamicOperations'

@asmfstatoil
Bug in version 2.318 ?
Trying to run Colab book:
https://colab.research.google.com/github/EvenSol/NeqSim-Colab/blob/master/notebooks/thermodynamics/Phase_envelopes_of_oil_and_gas.ipynb#scrollTo=cQnmMgSlerj7

in ()
24 fluid1.setMixingRule('classic');
25
---> 26 thermoOps = neqsim.thermodynamicOperations.ThermodynamicOperations(fluid1)
27 thermoOps.calcPTphaseEnvelope()
28

AttributeError: module 'neqsim' has no attribute 'thermodynamicOperations'

Propose to rename repo to neqsim-python

Github will redirect for users using connecting to the old link

https://docs.github.com/en/repositories/creating-and-managing-repositories/renaming-a-repository

Add hydrate temperature analyzer

src folder does not play nice with pip install -e

Problem, and a possible fix, is described in the issue in setuptools

#pypa/setuptools#230

ERROR neqsim.thermo.phase.PhaseEos - Failed to solve for molarVolume within the iteration limit.

I often get this error where composition has pseudo components. Is this particularly an error due to python envelope?
The snip of example code below.

from neqsim.thermo.thermoTools import *
import matplotlib.pyplot as plt

fluid1 = fluid("srk") # create a fluid using the SRK-EoS
fluid1.setTemperature(80, "C")
fluid1.setPressure(50, "bara")
fluid1.addComponent("nitrogen", 0)
fluid1.addComponent("CO2", 1.005)
fluid1.addComponent("H2S", 0)
fluid1.addComponent("methane", 24.62)
fluid1.addComponent("ethane", 2.704)
fluid1.addComponent("propane", 2.706)
fluid1.addComponent("i-butane", 1.309)
fluid1.addComponent("n-butane", 2.031)
fluid1.addComponent("i-pentane", 2.047)
fluid1.addComponent("n-pentane", 1.49)
fluid1.addTBPfraction("C6", 3.176, 85.3/1000.0, 0.6649)
fluid1.addTBPfraction("C7", 5.331, 93.2/1000.0, 0.7266)
fluid1.addTBPfraction("C8", 7.796, 105.1/1000.0, 0.7607)
fluid1.addTBPfraction("C9", 5.179, 119.4/1000.0, 0.7812)
fluid1.addPlusFraction("C10+", 40.616, 268/1000.0, 0.865)
fluid1.setMixingRule("classic")
fluid1.setMultiPhaseCheck(True)
fluid1.useVolumeCorrection(True)
TPflash(fluid1)
fluid1.getInterphaseProperties().setInterfacialTensionModel("gas", "oil", "Parachor")
fluid1.initProperties()
fluid1.display()
thermoOps = jNeqSim.thermodynamicOperations.ThermodynamicOperations(fluid1)
thermoOps.calcPTphaseEnvelope()
plt.plot(list(thermoOps.getOperation().get("dewT2")), list(thermoOps.getOperation().get("dewP2")), label="DewPoint")
plt.plot(list(thermoOps.getOperation().get("bubT")), list(thermoOps.getOperation().get("bubP")), label="BubblePoint")
plt.show()

Support python 3.12

Need to bump jpype version to 1.5+ for it to support python 3.12

One should note that the class path can only be set prior starting the JVM

From Stig Oskar:
One should note that the class path can only be set prior starting the JVM. Calls to set the class path after the JVM is started are silently ignored. If a jar must be loaded after the JVM is started, it may be loaded using java.net.URLClassLoader. Classes loaded using a URLClassloader are not visible to JPype imports nor to JPackage.

import jpype

if not jpype.isJVMStarted():
jpype.startJVM(convertStrings=False)
jvmVersion = jpype.getJVMVersion()[0]
if jvmVersion <= 8:
jpype.addClassPath('./lib/libj8/')
else:
jpype.addClassPath('./lib/')

jNeqSim = jpype.JPackage('neqsim')

Pandas support

Dear Even Solbraa,

Thank you for putting this very nice library online.
Do you have plans in the future to add support for pandas dataframes? Running the code to calculate the fluid properties for a single point (T, p) takes a few seconds - due to the connection with Java I guess - so I am a bit afraid of the time it will take to run the code on a (large) dataframe.

Best regards,

version 2.5.0

Prepare version 2.5.0 of neqsimpython

Java error: UnsupportedClassVersionError

Dear all,

I updated neqsim to the last version (2.4.0) and got the following error:

java.lang.java.lang.UnsupportedClassVersionError: java.lang.UnsupportedClassVersionError: neqsim/thermodynamicOperations/ThermodynamicOperations has been compiled by a more recent version of the Java Runtime (class file version 55.0), this version of the Java Runtime only recognizes class file versions up to 52.0

I am using the last version of the JRE (8 Update 341) on windows 10, so I'm not sure what causes this error. I have looked on the internet, and have not found a proper solution for this error so far.

I rolled back the previous versions of neqsim and found that the error appears from version 2.3.26 onwards.

Any hint will be welcome!

Thanks in advance.

Best regards

fix if dataframe has only pseudo components

Calculations crash if a dataframe for fluid has no defined components (only pseudo components).