MoziChem

Name: MoziChem
Rating: 4.7 (28 reviews)
Author: sinagilassi

Performs chemical engineering calculations including equation of state modeling, fugacity calculations, and thermodynamic property predictions using the MoziChem framework.

Provides thermodynamic and chemical engineering calculations through the MoziChem framework, offering equation of state models and flash calculations for process design, optimization, and phase equilibrium analysis.

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ai ml

GitHub

What it does

Calculate fugacity for pure gas and liquid components
Calculate fugacity for gas mixtures
Analyze equation of state roots for components and mixtures
Apply multiple equation of state models (Peng-Robinson, Soave-Redlich-Kwong, etc.)
Retrieve method reference inputs and equations
Perform thermodynamic property predictions

Best for

Chemical engineers designing separation processesProcess optimization and phase equilibrium analysisResearchers studying thermodynamic behavior of chemical systemsStudents learning chemical engineering calculations

Multiple equation of state models supportedHandles both pure components and mixtures

About MoziChem

MoziChem is a community-built MCP server published by sinagilassi that provides AI assistants with tools and capabilities via the Model Context Protocol. MoziChem offers process design with flash calculations and equation of state models like Soave Redlich Kwong and van der It is categorized under ai ml. This server exposes 6 tools that AI clients can invoke during conversations and coding sessions.

How to install

You can install MoziChem in your AI client of choice. Use the install panel on this page to get one-click setup for Cursor, Claude Desktop, VS Code, and other MCP-compatible clients. This server runs locally on your machine via the stdio transport.

License

MoziChem is released under the MIT license. This is a permissive open-source license, meaning you can freely use, modify, and distribute the software.

Tools (6)

get_method_reference_inputs

This function retrieves the reference inputs required for a specific method, including data and equations.

calc_gas_component_fugacity

This function calculates the fugacity of single-gas component using different equation of states (EOS) including Peng-Robinson (PR), Soave-Redlich-Kwong (SRK), Redlich-Kwong (RK), and van der Waals (vdW).

calc_liquid_component_fugacity

This function calculates the fugacity of single-liquid component using different equation of states (EOS) including Peng-Robinson (PR), Soave-Redlich-Kwong (SRK), Redlich-Kwong (RK), and van der Waals (vdW). The fugacity is calculated based on the EOS used for the gas phase and Poynting correction.

calc_fugacity_gas_mixture

This function calculates the fugacity of a mixture of gases using different equation of states (EOS) including Peng-Robinson (PR), Soave-Redlich-Kwong (SRK), Redlich-Kwong (RK), and van der Waals (vdW).

component_eos_roots_analysis

This function analyzes the roots of the EOS for a given component at specified temperature and pressure.

MoziChem-MCP

MoziChem-MCP Logo

PyPI Version Supported Python Versions License

A collection of Model Context Protocol (MCP) servers for chemical engineering and chemistry applications, built on top of the powerful MoziChem framework. This repository provides specialized MCP tools that enable AI assistants to perform complex chemical calculations, thermodynamic modeling, and process engineering tasks.

🧪 Overview

MoziChem-MCP bridges the gap between AI language models and chemical engineering calculations by providing structured access to thermodynamic models, equation of state calculations, phase equilibrium computations, and other essential chemical engineering tools through the Model Context Protocol.

Important Notes: This repository is actively maintained and will be updated with new MCP servers and features in the future. Stay tuned for additions to support more chemical engineering domains.

🚀 Features

Current MCP Servers

🌡️ EOS Models MCP (eos-models-mcp)
- Equation of State calculations using various models (Peng-Robinson, Soave-Redlich-Kwong, Redlich-Kwong, van der Waals)
- Fugacity calculations for pure components and mixtures
- Thermodynamic property predictions
- Phase behavior analysis
⚖️ Flash Calculations MCP (flash-calculations-mcp)
- Vapor-liquid equilibrium calculations
- Multi-component phase equilibrium
- Temperature and pressure flash calculations
- Bubble point and dew point calculations

📦 Installation

Prerequisites

Python 3.13 or higher
uv package manager (recommended)

Install from Source

# Clone the repository
git clone https://github.com/sinagilassi/mozichem-mcp.git
cd mozichem-mcp

# Install using uv (recommended)
uv sync

# Or install using pip
pip install -e .

Install from PyPI (when available)

pip install mozichem-mcp

🔧 Usage

Running MCP Servers

Each MCP server can be run independently:

EOS Models MCP Server

# Using uvx with the published package
uvx --from mozichem-mcp mozichem-mcp-eos-models

# Or run directly with Python (if installed locally)
python -m mozichem_mcp.mcp.eos_models

Flash Calculations MCP Server

# Using uvx with the published package
uvx --from mozichem-mcp mozichem-mcp-flash-calculation

# Or run directly with Python (if installed locally)
python -m mozichem_mcp.mcp.flash_calculation

Integration with AI Assistants

These MCP servers are designed to work with AI assistants that support the Model Context Protocol, such as:

Claude Desktop
Other MCP-compatible AI tools

Example Configuration for Claude Desktop

Add to your Claude Desktop configuration:

{
  "mcpServers": {
    "mozichem-eos": {
      "command": "uvx",
      "args": ["--from", "mozichem-mcp", "mozichem-mcp-eos-models"]
    },
    "mozichem-flash": {
      "command": "uvx",
      "args": ["--from", "mozichem-mcp", "mozichem-mcp-flash-calculation"]
    }
  }
}

Example Calculations

Once integrated with an AI assistant, you can perform calculations like:

"Calculate the fugacity of methane at 300K and 10 bar using the Peng-Robinson equation of state"

"Perform a flash calculation for a mixture of 40% methane and 60% ethane at 250K and 20 bar"

📚 Documentation

Chemical Engineering Applications

Process Design: Use for preliminary process calculations and design
Research: Integrate with computational workflows for chemical engineering research
Education: Enhance learning with interactive thermodynamic calculations
Industry: Support engineering decisions with reliable thermodynamic data

🤝 Contributing

Contributions are welcome! Please feel free to submit a Pull Request to improve the project.

📝 License

This project is licensed under the MIT License. You are free to use, modify, and distribute this software in your own applications or projects. However, if you choose to use this app in another app or software, please ensure that my name, Sina Gilassi, remains credited as the original author. This includes retaining any references to the original repository or documentation where applicable. By doing so, you help acknowledge the effort and time invested in creating this project.