NeqSim - an open source process simulation software

NeqSim is a library for calculation of fluid behavior, phase equilibrium and process simulation. NeqSim can be used as a stand-alone tool via Excel or a web interface. It is integrated in computer programs via available interfaces in Java, Python, .NET, Matlab or in process simulators via the Cape Open interface. The basis for NeqSim is fundamental mathematical models related to unit operations, phase behaviour and physical properties of fluids. NeqSim is used for fluids such as oil and gas, carbon dioxide, refrigerants, hydrogen, ammonia, water and chemicals.

Support related to use and development of NeqSim is provided by Department of Energy and Process Engineering at NTNU.

NeqSim project in GitHub

The NeqSim library is written in the Java programming language. The source code and libraries are hosted in GitHub.

• NeqSim Java

Also see the experimental data and parameter fitting project

NeqSim toolboxes in GitHub

NeqSim toolboxes are avalable via GitHub for alternative programming languages.

• NeqSim Matlab
• NeqSim Python
• NeqSim .NET
• NeqSim Excel/Cape-Open
• NeqSim native compilation using GraalVM

Getting started

NeqSim is integrated in computer programs via interfaces in java, python, .NET and Matlab.

• Getting started using NeqSim in Java
• Getting started using NeqSim in Matlab
• Getting started using NeqSim in Python
• Getting started using NeqSim in Excel
• Demo of NeqSim in Colab (Python)
• Getting started as a NeqSim developer

NeqSim discussion

Questions related to use and development are asked on the NeqSim github discussions page.

Examples

Java:

• Thermodynamic calculations
• Calculation of physical properties
• Process simulation

Matlab:

• Thermodynamic and process calculations

Python

• Python examples
• Notebook examples (Jupyter/Google Colab)
• NeqSim process project A project to build up a library of prebuilt process models

NeqSim.NET

• NeqSim .NET

Excel/Cape Open

• NeqSim Excel user interface

NeqSim API

NeqSim is well suited for beeing the basis for developing API’s for thermodynamic and process calculations.

• API development in Java API and Python API
• Example of use of API from Python

NeqSimLive

NeqSimLive is a collection of container based APIs used for simulation and performance monitoring of process plants. NeqSimLive APIs are typically consumed by company specific tools for scheduling calculations, visualization and writing of data. Support on developing digital twin components for flow assurance, process and transport can be reqested from the Energy and Process Technology group at NTNU.

• API template for NeqSimLive Process Digital Twin
• NeqSimLive API components

NeqSim web application

A web application has been developed to run calculation using neqsim via a web interface. Calculations such as TPflash, dew points, phase envelopes and hydrate equilibrium calculations can be run in the web application. An alternative web application is via Google Colab (Python).

• NeqSim Streamlit Web application
• NeqSim Web on Github

NeqSim AI

NeqSim Process Reinformance Learning Agents is an open-source project that leverages multi-agent reinforcement learning (RL) to optimize oil and gas processes simulated using the NeqSim package. This project provides a framework where intelligent agents control different process components, such as compressors, valves, pumps, and heat exchangers, to minimize emissions, CO2 footprint, power and heat input while maintaining product quality and operational stability.

• NeqSim-Process-RL-Agents

Benchmark

See NeqSim-benchmark project.

A benchmark of computational speed of the frameworks is published in the benchmark page