| 计算有机物临界体积的新基团贡献法 |
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| 引用本文： | 徐云蕾,史济斌,刘国杰. 计算有机物临界体积的新基团贡献法[J]. 石油学报(石油加工), 2000, 16(4): 48-54 |
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| 作者姓名： | 徐云蕾 史济斌 刘国杰 |
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| 作者单位： | 华东理工大学,化学系,上海,200237 |
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| 摘 要： | 通过对 2 5 7种有机物临界体积的回归 ,建立了一种新的基团贡献法。其计算结果与实验值的平均偏差小于文献报道的其它基团贡献法。此法亦能用来预测长碳链的直链烷烃和烷基酮的临界体积。
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| 关 键 词： | 临界体积 基团贡献 有机物 |
A DEVELOPED GROUP CONTRIBUTION METHOD TO ESTIMATE CRITICAL VOLUMES OF ORGANIC COMPOUNDS |
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| XU Yun-lei,SHI Ji-bin,LIU Guo-jie. A DEVELOPED GROUP CONTRIBUTION METHOD TO ESTIMATE CRITICAL VOLUMES OF ORGANIC COMPOUNDS[J]. Acta Petrolei Sinica (Petroleum Processing Section), 2000, 16(4): 48-54 |
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| Authors: | XU Yun-lei SHI Ji-bin LIU Guo-jie |
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| Abstract: | A new group contribution method for estimating critical volumes of organic compounds has been established via the regressing 257 organic compounds The average deviation of calculated results with experimental values is less than that published in literatures by other group contribution methods This method can also be used to predict the critical volumes of normal alkanes and alkyl ketones with long carbon chains |
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| Keywords: | critical volume group contribution organic compound |
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