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介绍开发热力学计算软件的设计原理、特点及其应用。对用户输入的反应组元进行分子式解析，实现反应式的自动配平，通过调用可扩充的无机化合物热力学数据库对反应进行热力学计算，得到如反应Ｇｉｂｂｓ自由能、反应热及反应平衡常数等基本热力学参数，并将计算结果生成数据文件作为绘图软件的输入。该软件适用于实际体系的热力学计算，用户只需输入反应组元的活度，即可得到反应Ｇｉｂｂｓ自由能变化及气体分压或分压比（若有气体参与反应）与温度的变化关系。
Introduce the design principle, characteristic and application of developing thermodynamic calculation software. The reaction components input by the user are analyzed by the molecular formula to realize the automatic doping of the reaction formula. The thermodynamic calculation of the reaction is carried out by invoking a scalable inorganic compound thermodynamic database to obtain basic thermodynamic parameters such as reaction Gibbs free energy, reaction heat and reaction equilibrium constant , And generate the data file as the input of the drawing software. The software is suitable for the thermodynamics calculation of the actual system. Users only need to input the activity of the reaction components to get the relationship between the Gibbs free energy change and the partial pressure or partial pressure of gas (if the gas is involved in the reaction) and the temperature.