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NeqSim Logo

Build Status Build maven Known Vulnerabilities codecov SCM Compliance

NeqSim is the main part of the NeqSim project. NeqSim (Non-Equilibrium Simulator) is a Java library for estimating fluid properties and process design. The basis for NeqSim is a library of fundamental mathematical models related to phase behavior and physical properties of fluids. NeqSim is easilly extended with new models. NeqSim development was initiated at the Norwegian University of Science and Technology (NTNU).

Releases

NeqSim releases are available as a packaged jar file and as source code. NeqSim can be used in a third party application by adding NeqSim jar to the classpath.

Getting started as a NeqSim Java user

NeqSim can be used in a Java application by adding the neqsim-x.x.x.jar found in NeqSim releases to the classpath. A demonstration of downloading the library and running a TPflash benchmark is illustrated in this NeqSim Colab demo. Learn and ask questions in Discussions for use and development of NeqSim. Also see the NeqSim JavaDoc.

Use of the NeqSim package

NeqSim can be set up as a dependency in a Java project via the NeqSim GitHub package distribution.

Getting Started as a NeqSim Java developer

See the NeqSim Java Wiki for how to use the NeqSim API. NeqSim can be built using the Maven build system (https://maven.apache.org/). All NeqSim build dependencies are given in the pom.xml file. Learn and ask questions in Discussions for use and development of NeqSim.

Initial setup

The NeqSim source code is downloaded by cloning the library to your local computer (alternatively fork it to your private reprository). The following commands are dependent on a local installation of GIT and Maven.

git clone https://github.com/equinor/neqsim.git
cd neqsim
./mvnw install

Note The maven wrapper command is dependend on your OS, for Unix use: ./mvnw Windows: mvnw.cmd

An interactive demonstration of how to get started as a NeqSim developer is presented in this NeqSim Colab demo.

Running the tests

The test files are written in JUnit5 and placed in the test directory. Test code shuld be written for all new code added to the project, and all tests have to pass before merging into the master branch.

Test coverage can be examined using jacoco from maven.
Generate a coverage report using ./mvnw jacoco:prepare-agent test install jacoco:report and see results in target/site/jacoco/index.html.

Note The maven wrapper command is dependend on your OS, for Unix use: ./mvnw Windows: mvnw.cmd

Deployment

The NeqSim source code is compiled and distributed as a Java library. NeqSim releases are available for download from the release pages.

Built With

Maven - Dependency Management

Contributing

See the getting started as a NeqSim developer documentation. Please read CONTRIBUTING.md for details on our code of conduct, and the process for submitting pull requests. An interactive demonstration of how to get started as a NeqSim developer is presented in this NeqSim Colab demo.

Discussion forum

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

Versioning

NeqSim use SemVer for versioning.

Authors and contact persons

Even Solbraa ([email protected]), Marlene Louise Lund

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 modules

NeqSim is built upon six base modules:

  1. Thermodynamic Routines
  2. Physical Properties Routines
  3. Fluid Mechanic Routines
  4. Unit Operations
  5. Chemical Reactions Routines
  6. Parameter Fitting Routines
  7. Process simulation routines

File System

neqsim/: main library with all modules

neqsim/thermo/: Main path for thermodynamic routines neqsim/thermo/util/examples/: examples of use of Thermodynamic Models and Routines

neqsim/thermodynamicoperation: Main path for flash routines (TPflash, phase envelopes, etc.) neqsim/thermodynamicoperation/util/example/: examples of use of thermodynamic operations (eg. flash calculations etc.)

neqsim/physicalproperties: Main path for Physical Property methods neqsim/physicalproperties/util/examples/: Examples of use of physical properties calculations

neqsim/physicalproperties: Main path for Physical Property methods neqsim/physicalproperties/util/examples/: Examples of use of physical properties calculations

neqsim/processsimulation: Main path for Process Simulation Calculations neqsim/processsimulation/util/examples/: Examples of use of Process Simulation calculations

changelog.txt : History of what changed between each version. license.txt: license document

Toolboxes

See NeqSim homepage. NeqSim toolboxes are avalable via GitHub for alternative programming languages.

Related open source projects

NeqSim Python/Colab