| 利用Matlab计算纯物质蒸气压 |
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| 引用本文： | 衣守志,李海华,吴家全.利用Matlab计算纯物质蒸气压[J].计算机应用与软件,2009,26(3). |
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| 作者姓名： | 衣守志 李海华 吴家全 |
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| 作者单位： | 天津科技大学材料科学与化学工程学院,天津,300457 |
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| 摘 要： | 以对应态基团贡献法CSGC-RE方程为模型,利用Matlab优化程序,以烷烃为例说明Matlab在计算纯物质蒸气压的应用.对包括烷烃、烯烃、环烃、芳香族、卤代烃、含氧物质、含硫物质、含氮物质等22类533种物质计算后误差分布进行了统计,计算结果表明这种方法是有效的,而且大大减轻了进行复杂算法设计的工作量.
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| 关 键 词： | 优化计算 有机物蒸气压 CSGC方程 |
CALCULATION OF VAPOR PRESSURE FOR PURE SUBSTANCES WITH MATLAB |
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| YI Shouzhi,LI Haihua,WU Jiaquan.CALCULATION OF VAPOR PRESSURE FOR PURE SUBSTANCES WITH MATLAB[J].Computer Applications and Software,2009,26(3). |
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| Authors: | YI Shouzhi LI Haihua WU Jiaquan |
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| Affiliation: | College of Material Science and Chemical Engineering;Tianjin University of Science and Technology;Tianjin 300457;China |
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| Abstract: | Taking corresponding state group contribution method CSGC-RE equation as the model,applying optimization in Matlab,and using alkanes as example,the application of Matlab in calculation of vapor pressures for pure substances was described.In this work,error distribution statistics after computation was made for 553 compounds in 22 kinds of substances,including alkanes,alkenes,cyclic hydrocarbons,aromatics,halohydrocarbons,and compounds containing oxygen,sulfur and nitrogen etc.The result of calculation indic... |
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| Keywords: | Matlab |
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