A Python package for solving chemistry problems, particularly focusing on chemical kinetics (rate equations) and equilibrium calculations.
ChemPy
- Python
- 化学, 数学, 模拟
- 化学品回收, 化学, 环境工程, 环境影响, 流程改进, 工艺优化, 可持续性指标, 可持续实践
特点
- Chemical reaction ODE solving, symbolic representation of reactions, equilibrium calculations, Arrhenius equation, thermochemical data handling (parsing, fitting), plotting utilities, unit handling (via `quantities`)
定价
- 免费
- Useful for chemical kinetics modeling, symbolic manipulation of chemical systems, good for educational and research purposes in physical chemistry, integrates with scientific Python stack.
- May not be as comprehensive as specialized commercial chemical modeling software, development seems less active recently for some aspects, documentation can be technical and assumes domain knowledge.
最适合：
- Chemists and chemical engineers needing to model and solve chemical kinetics problems, analyze reaction systems, and perform equilibrium calculations, especially in academic or research settings.