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MKMCXX

MKMCXX is a fast and flexible microkinetic modeling engine built in modern C++ for simulating complex catalytic reaction networks. It efficiently solves systems of differential rate equations, automatically generates reaction graphs, and provides detailed kinetic insights such as activation energies, reaction orders, and degrees of rate control. Designed for both research and industrial applications, MKMCXX is fully scriptable via a single input file and is freely available for academic, educational, and commercial use.

  • High Performance
    Engineered in modern C++ to deliver exceptional speed and efficiency.

  • Automated Graph Generation
    Generate insightful graphs dynamically with every simulation run.

  • Advanced Kinetic Analysis
    Effortlessly compute activation energies, reaction orders, and Campbell's Degree of Rate Control.

  • Easy to Learn
    Comprehensive tutorials and documentation to get you productive quickly.

Note

MKMCXX v3 is currently under active development, and a new website is being created alongside it. Content will be added progressively, and material from the previous MKMCXX v2 website is being migrated to this platform.

Obtaining MKMCXX

You can obtain the latest version of MKMCXX via one of the links below

Version Platform Download Link
3.0.3 RC Windows (x64 / 80 bit floats) Download
3.0.3 RC Linux (x64 / 80 bit floats) Download
3.0.3 RC Mac (arm64 / 64 bit floats) Download

Note

MKMCXX v3 now has a release candidate available — while not all features from v2 are implemented yet, v3 is approximately 4–10× faster and may be worth exploring. For "standard" thermal catalysis simulations, we recommend to use v3. If legacy features which are not yet ported to the new version are needed, e.g. electrochemistry module or lateral interactions, remain on using v2.

Version Platform Download Link
2.16.2 Windows Download
2.16.2 Linux Download

Tip

In addition to the documentation available on this website, each download package includes an examples folder containing a variety of simulation setups to help you get started.

Using MKMCXX

To get started with MKMCXX, please refer to the appropriate guide for your version:

Each guide will walk you through installation, running example simulations, and configuring your own setups.

Questions, comments and feedback

If you have questions about MKMCXX, feel free to reach out to i.a.w.filot@tue.nl. Please keep in mind that this software is distributed freely and we do not have a dedicated support team. While we do our best to respond, replies might take a little time - sometimes up to 1–2 weeks - especially if your message gets buried under a flood of other emails. If you have not heard back in a while, do not hesitate to send a friendly reminder.