| 无机物及化学反应热力学计算软件 |
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| 引用本文： | 尹爱君,李晶,李新海,黄克雄,蒋汉瀛.无机物及化学反应热力学计算软件[J].中南大学学报(自然科学版),1996(1). |
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| 作者姓名： | 尹爱君 李晶 李新海 黄克雄 蒋汉瀛 |
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| 作者单位： | 中南工业大学冶金物理化学与化学新材料研究所 |
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| 基金项目： | 中国有色金属工业总公司高校科研基金 |
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| 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．
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| 关 键 词： | 熵，焓，吉布斯自由能，热力学计算，软件 |
A SOFTWARE FOR CALCULATING THERMODYNAMIC PROPERTIES OF INORGANIC SUBSTANCES AND CHEMICAL REACTIONS |
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| Yin Aijun, Li Jing, Li Xinhai, Huang Kexiong, Jiang Hanying.A SOFTWARE FOR CALCULATING THERMODYNAMIC PROPERTIES OF INORGANIC SUBSTANCES AND CHEMICAL REACTIONS[J].Journal of Central South University:Science and Technology,1996(1). |
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| Authors: | Yin Aijun Li Jing Li Xinhai Huang Kexiong Jiang Hanying |
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| 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. |
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| Keywords: | entropy enthalpy Gibbs free energy thermodynamic calculation softwares |
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