Chemical 2.0 (Free open-source Modelica library)

Authors

  • Marek Matejak Institute for Clinical and Experimental Medicine

DOI:

https://doi.org/10.3384/ecp21855

Keywords:

Chemical 2.0, inertial chemical potential, inertial electrochemical potential, chemical expression, electrochemical expression, chemical library, electrochemical library, Modelica library, physical chemistry, chemical equilibrium, electrochemical equilibrium, thermodynamics equilibrium, chemical potential, electrochemical potential, electrochemical cell, internal energy, semipermeable membrane, chemical kinetics, chemical pathways

Abstract

Free open-source Modelica library called Chemical 2.0(https://github.com/MarekMatejak/Chemical) providesexpressions between chemical substances and processes.These robust and unified definitions allow users to choosewhether define processes or substances in their dynamic(electro-)chemical models. Propagation of substancedefinition and chemical solution through connectedcomponents simplify configuration. Chemical pathways canstart even with unknown substances. Chemical kinetics wasrewritten.The possibilities and performance of chemical pathwaysmodeling are increased using a new type of connectors basedon inertial electro-chemical potential. Chemical processescan be directly connected without need to add unsignificantstates. Parameterization of chemical reactions is alsostreamlined, e.g. using forward rate and dissociationcoefficient.

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Published

2025-10-24

Issue

Proceedings of the 16th International Modelica&FMI Conference, September 8 – 10, 2025, Lucerne University of Applied Sciences and Arts (HSLU)

Section

Papers

License

Copyright (c) 2025 Marek Matejak

Creative Commons License

This work is licensed under a Creative Commons Attribution 4.0 International License.