| 合成戊二酸二乙酯反应体系的热力学计算与分析 |
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| 引用本文： | 杜勇,朱建华,刘红研,张春辉.合成戊二酸二乙酯反应体系的热力学计算与分析[J].合成技术及应用,2006,21(1):20-23,38. |
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| 作者姓名： | 杜勇 朱建华 刘红研 张春辉 |
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| 作者单位： | 中国石油大学化学科学与工程学院,北京,102249;中国石油大学化学科学与工程学院,北京,102249;中国石油大学化学科学与工程学院,北京,102249;中国石油大学化学科学与工程学院,北京,102249 |
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| 摘 要： | 采用基团贡献法估算了反应体系中戊二酸和戊二酸二乙酯在298.15K标准状态下的生成焓和标准熵,并且估算了这两种物质的热容随温度变化的关系式,计算了不同温度条件下反应的吉布斯自由能和标准平衡常数。通过对该反应体系的热力学分析发现,当达到平衡时该反应几乎可以进行到底,从而验证了该反应在热力学上的可行性。
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| 关 键 词： | 戊二酸二乙酯 热力学分析 平衡常数 基团贡献 |
| 文章编号： | 1006-334X（2006）01-0020-04 |
| 收稿时间： | 2006-01-18 |
| 修稿时间： | 2006-01-18 |
Thermodynamics calculation and analysis of synthesis of diethyl glutarate |
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| Du Yong,Zhu Jianhua,Liu Hongyan,Zhang Chunhui.Thermodynamics calculation and analysis of synthesis of diethyl glutarate[J].Synthetic Technology and Application,2006,21(1):20-23,38. |
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| Authors: | Du Yong Zhu Jianhua Liu Hongyan Zhang Chunhui |
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| Affiliation: | Faculty of Chemical Science and Engineering, China Petroleum University, Beijing 102249, China |
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| Abstract: | The method of group contributions is applied to estimate the enthalpy and entropy of glutarate and diethyl glutarate in the specified reacting system under the standard state. The functional correlations between the heat capacity of these organic compounds and temperature are established. In addition, the Gibbs free energy and standard equilibrium constant of the reaction are calculated under the different temperature. Based the thermodynamics analysis it can be found that the reaction can be almost carried on completely when reach the equilibrium. Therefore the conclusion which the reaction is practicable in thermodynamics could be concluded. |
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| Keywords: | diethyl glutarate thermodynamic analysis equilibrium constant group contributions |
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