v3.7.0

Author: EvenSol

README.md

@@ -1,56 +1,101 @@
-![NeqSim Logo](https://github.com/equinor/neqsim/blob/master/docs/wiki/neqsimlogocircleflatsmall.png)
+<h1>
+  <img src="https://github.com/equinor/neqsim/blob/master/docs/wiki/neqsimlogocircleflatsmall.png" alt="NeqSim Logo" width="120" valign="middle">&nbsp;NeqSim Python
+</h1>
 
-![Run tests](https://github.com/equinor/neqsim-python/actions/workflows/runtests.yml/badge.svg?branch=master)
-![Publish package](https://github.com/equinor/neqsim-python/actions/workflows/publish-to-test-pypi.yml/badge.svg?branch=master)
+<p align="center">
+  <strong>Python interface to the NeqSim engine — fluid properties, process simulation, and PVT analysis from Python and Jupyter notebooks.</strong>
+</p>
 
-# NeqSim Python
+<p align="center">
+  <a href="https://github.com/equinor/neqsim-python/actions/workflows/runtests.yml?query=branch%3Amaster"><img src="https://github.com/equinor/neqsim-python/actions/workflows/runtests.yml/badge.svg?branch=master" alt="Tests"></a>
+  <a href="https://github.com/equinor/neqsim-python/actions/workflows/publish-to-test-pypi.yml"><img src="https://github.com/equinor/neqsim-python/actions/workflows/publish-to-test-pypi.yml/badge.svg?branch=master" alt="Publish"></a>
+  <a href="https://pypi.org/project/neqsim/"><img src="https://img.shields.io/pypi/v/neqsim.svg?label=PyPI" alt="PyPI"></a>
+  <a href="https://pypi.org/project/neqsim/"><img src="https://img.shields.io/pypi/pyversions/neqsim.svg" alt="Python"></a>
+  <a href="LICENSE"><img src="https://img.shields.io/badge/license-Apache--2.0-blue.svg" alt="License"></a>
+</p>
 
-NeqSim Python is part of the [NeqSim project](https://equinor.github.io/neqsimhome/). NeqSim Python is a Python interface to the [NeqSim Java library](https://github.com/equinor/neqsim) for estimation of fluid behavior and process design for oil and gas production. NeqSim Python toolboxes (eg. [thermoTools](https://github.com/equinor/neqsim-python/blob/master/src/neqsim/thermo/thermoTools.py) and [processTools](https://github.com/equinor/neqsim-python/blob/master/src/neqsim/process/processTools.py)) are implemented to streamline use of neqsim in Python. Examples of use are given in the [examples folder](https://github.com/equinor/neqsim-python/tree/master/examples).
+<p align="center">
+  <a href="#-quick-start">Quick Start</a> ·
+  <a href="#-process-simulation">Process Simulation</a> ·
+  <a href="#-pvt-simulation">PVT Simulation</a> ·
+  <a href="#-examples">Examples</a> ·
+  <a href="https://equinor.github.io/neqsimhome/">Docs</a> ·
+  <a href="https://github.com/equinor/neqsim/discussions">Community</a>
+</p>
 
-## Installation
+---
 
-NeqSim Python can be installed via **pip** or **conda**.
+## What is NeqSim Python?
 
-### Using pip
+NeqSim Python is part of the [NeqSim project](https://equinor.github.io/neqsimhome/) — a Python interface to the [NeqSim Java library](https://github.com/equinor/neqsim) for estimation of fluid behavior and process design for oil and gas production.
 
-```bash
-pip install neqsim
-```
+It provides Python toolboxes such as [thermoTools](https://github.com/equinor/neqsim-python/blob/master/src/neqsim/thermo/thermoTools.py) and [processTools](https://github.com/equinor/neqsim-python/blob/master/src/neqsim/process/processTools.py) that streamline the use of NeqSim, plus direct access to the full Java API via the `jneqsim` gateway.
+
+| Capability | What you get |
+|------------|-------------|
+| **Thermodynamics** | 60+ EOS models (SRK, PR, CPA, GERG-2008, …), flash calculations, phase envelopes |
+| **Physical properties** | Density, viscosity, thermal conductivity, surface tension |
+| **Process simulation** | 33+ equipment types — separators, compressors, heat exchangers, valves, pumps, reactors |
+| **PVT simulation** | CME, CVD, differential liberation, separator tests, swelling, viscosity |
+| **Pipeline & flow** | Steady-state multiphase pipe flow (Beggs & Brill), pipe networks |
 
-### Using Conda
+---
 
-NeqSim is available on conda-forge. Install with:
+## 🚀 Quick Start
+
+### Install
+
+<table>
+<tr><td><strong>pip</strong> (requires Java 11+)</td><td><strong>conda</strong> (Java included)</td></tr>
+<tr>
+<td>
 
 ```bash
-conda install -c conda-forge neqsim
+pip install neqsim
 ```
 
-Or add conda-forge to your channels and install:
+</td>
+<td>
 
 ```bash
-conda config --add channels conda-forge
-conda config --set channel_priority strict
-conda install neqsim
+conda install -c conda-forge neqsim
 ```
 
-**Note:** The conda package automatically includes Java (OpenJDK) as a dependency, so no separate Java installation is required.
+</td>
+</tr>
+</table>
 
-### Prerequisites
+> **Prerequisites:** Python 3.9+ and Java 11+. The conda package automatically installs OpenJDK — no separate Java setup needed. For pip, install Java from [Adoptium](https://adoptium.net/).
 
-- Python 3.9 or higher
-- Java 11 or higher (automatically installed with conda, or install separately for pip)
+### Try it now
 
-## Getting Started
+```python
+from neqsim.thermo import fluid
 
-See the [NeqSim Python Wiki](https://github.com/equinor/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](https://colab.research.google.com/github/EvenSol/NeqSim-Colab/blob/master/notebooks/examples_of_NeqSim_in_Colab.ipynb#scrollTo=kHt6u-utpvYf). Learn and ask questions in [Discussions for use and development of NeqSim](https://github.com/equinor/neqsim/discussions).
+# Create a natural gas fluid
+fl = fluid('srk')
+fl.addComponent('methane', 0.85)
+fl.addComponent('ethane', 0.10)
+fl.addComponent('propane', 0.05)
+fl.setTemperature(25.0, 'C')
+fl.setPressure(60.0, 'bara')
+fl.setMixingRule('classic')
+
+from neqsim.thermo import TPflash, printFrame
+TPflash(fl)
+printFrame(fl)
+```
+
+---
 
-## Process Simulation
+## 🔧 Process Simulation
 
 NeqSim Python provides multiple ways to build process simulations:
 
-### 1. Python Wrappers (Recommended for beginners)
+<details>
+<summary><strong>1. Python Wrappers</strong> — recommended for beginners & notebooks</summary>
 
-Simple functions with a global process - great for notebooks and prototyping:
+Simple functions with a global process — great for prototyping:
 
 ```python
 from neqsim.thermo import fluid
@@ -72,9 +117,12 @@ runProcess()
 print(f"Compressor power: {comp.getPower()/1e6:.2f} MW")
 ```
 
-### 2. ProcessContext (Recommended for production)
+</details>
+
+<details>
+<summary><strong>2. ProcessContext</strong> — recommended for production code</summary>
 
-Context manager with explicit process control - supports multiple independent processes:
+Context manager with explicit process control — supports multiple independent processes:
 
 ```python
 from neqsim.thermo import fluid
@@ -94,9 +142,12 @@ with ProcessContext("Compression Train") as ctx:
     print(f"Compressor power: {comp.getPower()/1e6:.2f} MW")
 ```
 
-### 3. ProcessBuilder (Fluent API)
+</details>
 
-Chainable builder pattern - ideal for configuration-driven design:
+<details>
+<summary><strong>3. ProcessBuilder</strong> — fluent API for configuration-driven design</summary>
+
+Chainable builder pattern:
 
 ```python
 from neqsim.thermo import fluid
@@ -117,9 +168,12 @@ process = (ProcessBuilder("Compression Train")
 print(f"Compressor power: {process.get('compressor').getPower()/1e6:.2f} MW")
 ```
 
-### 4. Direct Java Access (Full control)
+</details>
+
+<details>
+<summary><strong>4. Direct Java Access</strong> — full control via jneqsim</summary>
 
-Explicit process management using jneqsim - for advanced features see [neqsim java API](https://github.com/equinor/neqsim):
+Explicit process management using the Java API — for advanced features see the [NeqSim Java repo](https://github.com/equinor/neqsim):
 
 ```python
 from neqsim import jneqsim
@@ -147,46 +201,83 @@ process.run()
 print(f"Compressor power: {comp.getPower()/1e6:.2f} MW")
 ```
 
+</details>
+
 ### Choosing an Approach
 
-| Use Case                    | Recommended Approach |
-| --------------------------- | -------------------- |
-| Learning & prototyping      | Python wrappers      |
-| Jupyter notebooks           | Python wrappers      |
-| Production applications     | ProcessContext       |
-| Multiple parallel processes | ProcessContext       |
-| Configuration-driven design | ProcessBuilder       |
-| Advanced Java features      | Direct Java access   |
+| Use Case | Recommended Approach |
+|----------|---------------------|
+| Learning & prototyping | Python wrappers |
+| Jupyter notebooks | Python wrappers |
+| Production applications | ProcessContext |
+| Multiple parallel processes | ProcessContext |
+| Configuration-driven design | ProcessBuilder |
+| Advanced Java features | Direct Java access |
+
+---
+
+## 🧪 PVT Simulation
+
+NeqSim includes a `pvtsimulation` package for common PVT experiments (CCE/CME, CVD, differential liberation, separator tests, swelling, viscosity, etc.) and tuning workflows.
+
+- [PVT simulation documentation](docs/pvt_simulation.md)
+- [PVT examples with direct Java access](examples/pvtsimulation/README.md)
 
-See the [examples folder](https://github.com/equinor/neqsim-python/tree/master/examples) for more process simulation examples, including [processApproaches.py](https://github.com/equinor/neqsim-python/blob/master/examples/processApproaches.py) which demonstrates all four approaches.
+---
 
-## PVT Simulation (PVTsimulation)
+## 📂 Examples
 
-NeqSim also includes a `pvtsimulation` package for common PVT experiments (CCE/CME, CVD, differential liberation, separator tests, swelling, viscosity, etc.) and tuning workflows.
+Explore ready-to-run examples in the [examples folder](https://github.com/equinor/neqsim-python/tree/master/examples):
 
-- Documentation: `docs/pvt_simulation.md`
-- Direct Java access examples: `examples/pvtsimulation/README.md`
+- Process simulation — [processApproaches.py](https://github.com/equinor/neqsim-python/blob/master/examples/processApproaches.py) (all four approaches)
+- Flash calculations, phase envelopes, hydrate prediction
+- Compressor trains, heat exchangers, separation processes
+- Jupyter notebooks in [examples/jupyter/](https://github.com/equinor/neqsim-python/tree/master/examples/jupyter)
+- [Google Colab examples](https://colab.research.google.com/github/EvenSol/NeqSim-Colab/blob/master/notebooks/examples_of_NeqSim_in_Colab.ipynb)
 
-## Prerequisites
+---
 
-Java version 8 or higher ([Java JDK](https://adoptium.net/)) needs to be installed. The Python package [JPype](https://github.com/jpype-project/jpype) is used to connect Python and Java. Read the [installation requirements for Jpype](https://jpype.readthedocs.io/en/latest/install.html). 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](https://github.com/equinor/neqsim-python/network/dependencies).
+## ⚙️ Technical Notes
 
-## Contributing
+[JPype](https://github.com/jpype-project/jpype) bridges Python and Java. See the [JPype installation guide](https://jpype.readthedocs.io/en/latest/install.html) for platform-specific details. Ensure Python and Java are both 64-bit (or both 32-bit) — mixing architectures will crash on import.
 
-Please read [CONTRIBUTING.md](CONTRIBUTING.md) for details on our code of conduct, and the process for submitting pull requests.
+The full list of Python dependencies is on the [dependencies page](https://github.com/equinor/neqsim-python/network/dependencies).
 
-## Discussion forum
+---
 
-Questions related to neqsim can be posted in the [github discussion pages](https://github.com/equinor/neqsim/discussions).
+## 🏗️ Contributing
+
+We welcome contributions — bug fixes, new examples, documentation improvements, and more.
+
+- [CONTRIBUTING.md](CONTRIBUTING.md) — Code of conduct and PR process
+- [NeqSim Python Wiki](https://github.com/equinor/neqsim-python/wiki) — Guides and usage patterns
+
+---
+
+## 📚 Documentation & Resources
+
+| Resource | Link |
+|----------|------|
+| **NeqSim homepage** | [equinor.github.io/neqsimhome](https://equinor.github.io/neqsimhome/) |
+| **Python wiki** | [neqsim-python/wiki](https://github.com/equinor/neqsim-python/wiki) |
+| **JavaDoc API** | [JavaDoc](https://equinor.github.io/neqsimhome/javadoc/site/apidocs/index.html) |
+| **Discussion forum** | [GitHub Discussions](https://github.com/equinor/neqsim/discussions) |
+| **NeqSim Java** | [equinor/neqsim](https://github.com/equinor/neqsim) |
+| **MATLAB binding** | [equinor/neqsimmatlab](https://github.com/equinor/neqsimmatlab) |
+| **Releases** | [GitHub Releases](https://github.com/equinor/neqsim-python/releases) |
+
+---
 
 ## Versioning
 
-NeqSim use [SemVer](https://semver.org/) for versioning.
+NeqSim uses [SemVer](https://semver.org/) for versioning.
+
+## Authors
 
-## Licence
+Even Solbraa (esolbraa@gmail.com), Marlene Louise Lund
 
-NeqSim is distributed under the [Apache-2.0](https://github.com/equinor/neqsimsource/blob/master/LICENSE) licence.
+NeqSim development was initiated at [NTNU](https://www.ntnu.edu/employees/even.solbraa). A number of master and PhD students have contributed — we greatly acknowledge their contributions.
 
-## Acknowledgments
+## License
 
-A number of master and PhD students at NTNU have contributed to development of NeqSim. We greatly acknowledge their contributions.
+[Apache-2.0](LICENSE)

pyproject.toml

@@ -1,6 +1,6 @@
 [tool.poetry]
 name = "neqsim"
-version = "3.6.1"
+version = "3.7.0"
 homepage = "https://github.com/Equinor/neqsim-python"
 description = "NeqSim is a tool for thermodynamic and process calculations"
 authors = ["Even Solbraa <esolbraa@gmail.com>"]