Published July 25, 2022
| Version v1
Poster
Open
Extensible and Community-Driven Thermodynamics, Transport, and Chemical Kinetics Modeling with Cantera: Expanding to Diverse Scientific Domains
Authors/Creators
- 1. Brown University
- 2. Massachusetts Institute of Technology
- 3. Colorado School of Mines
- 4. Oregon State University
- 5. Northeastern University
- 6. University of Connecticut
Description
Cantera is an open-source suite of tools for solving problems involving chemical kinetics, thermodynamics, and transport processes. It consists of a core library written in C++ with interfaces for user applications available in Python, C++, MATLAB, C, and Fortran 90. Cantera’s object-oriented architecture enables efficient development of new models. Cantera objects/classes represent:
- Phases of matter (solids, liquids, gases, interfaces)
- Functions to calculate properties and rates
- Solvers for chemical equilibrium, time-dependent 0-D systems (reactor networks), and steady-state 1-D reacting systems (flames)
The goals of this NSF-sponsored project are to:
- Extend Cantera’s capabilities
- Support scientific discovery and technology development in energy storage & conversion, chemical processing, and atmospheric chemistry
- Expand Cantera’s user base
- Outreach to critical fields including electrochemistry, heterogeneous catalysis, and atmospheric chemistry
- Broaden participation in the software’s development and management
- Improve Cantera’s sustainability and usability
Notes
This work is supported by the National Science Foundation under Grant Nos. 1931584, 1931391, 1931539, 1931592, 1931397, and 1931389.
Files
Cantera CSSI Poster 2022.pdf
Files
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Additional details
Related works
- Describes
- Software: 10.5281/zenodo.742000 (DOI)