无机物及化学反应热力学计算软件

来源期刊：中南大学学报(自然科学版)1996年第1期

论文作者：尹爱君 李晶 李新海 黄克雄 蒋汉瀛

文章页码：100 - 103

关键词：熵; 焓; 吉布斯自由能; 热力学计算; 软件

Key words：entropy; enthalpy; Gibbs free energy; thermodynamic calculation; softwares

摘    要：在建成的无机热力学数据库和水溶液热 力学数据库的基础上,利用FoxPro数据库管理系统的数据检索和查询功能以及C+ +语言的计算功能,编制了一套热力学计算软件.该程序可完成任何温度下 气、固体和水溶液中离子、分子和化学反应(电极反应)的热力学计算等.程序可自动检索库中的数据,用户可通过键盘输入缺少的数据或修改已有数据,可自动配 平化学反应(电极反应)方程式,可自动生成水溶液中分子的电离反应.程序设计简单,代码少,运算速度快,计算结果准确,通用性较好.

Abstract: Based on the thermodynamic databases, a program for thermodynamic calculations was developed by using C+ + computer language, and it was connected with the databases. The program can perform the calculations of thermodynamic properties of gases., solids, aqueous substances, and chemical reactions at any given temperature. The standard thermodynamic data may be retrieved automatically from the databases, and may be prepared or modified by user through keyboard. The equations of chemical reactions or electrode reactions can be automatically constructed. The program was laconically designed, with less generating code,quick running speed ,high accurate results and great convenience.