• 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>Fluid Phase Equilibria >Correlating and estimating the solubilities of solid organic compounds in supercritical CO2 based on the modified expanded liquid model and the group contribution method
【24h】

Correlating and estimating the solubilities of solid organic compounds in supercritical CO2 based on the modified expanded liquid model and the group contribution method

机译：基于改进的扩展液体模型和基团贡献法关联和估算固体有机化合物在超临界二氧化碳中的溶解度

获取原文
获取原文并翻译 | 示例
           
页面导航
  • 摘要
  • 著录项
  • 相似文献
  • 相关主题

摘要

The expanded liquid model was investigated and a modified solution model was proposed in this paper. The results showed that in the expanded liquid model the accuracy of the solubility parameters of supercritical CO2 (sc-CO2) can affect the change of the variables. If the solubility parameters of sc-CO2 are accurate, the variables in the expanded liquid model are nearly temperature-independent. If the inaccurate solubility parameters of sc-CO2 were used, the variables in the model would be slightly temperature-dependent. When using the solubility parameter of the solute as variable and calculating the solubility parameters of sc-CO2 with accurate method in the expanded liquid model, it is found that the solubility parameter of the solute is the linear function of the ratio of the solubility parameter and molar volume of sc-CO2 (delta(1)/v(1)). Based on this linear function, the expanded liquid model was modified. In the modified model, the slope and the intercept of the linear function were used as the fitting parameters. The modified model was compared with the other two-parameter expanded liquid models and the results showed the modified model can provide better correlation results with the average absolute relative deviation (AARD) being 13.31%. A group contribution method was developed to estimate the parameters in the modified model. Based on the modified model and the group contribution method, the solubilitis of most of the solutes in sc-CO2 can be estimated in the order of magnitude. (C) 2014 Elsevier B.V. All rights reserved.
机译：研究了扩展的液体模型，并提出了修正的溶液模型。结果表明，在扩展的液体模型中，超临界CO2（sc-CO2）溶解度参数的准确性会影响变量的变化。如果sc-CO2的溶解度参数准确，则扩展液体模型中的变量几乎与温度无关。如果使用sc-CO2的溶解度参数不准确，则模型中的变量将与温度略有相关。当使用溶质的溶解度参数作为变量并在扩展的液体模型中用精确的方法计算sc-CO2的溶解度参数时，发现溶质的溶解度参数是溶解度参数与sc-CO2的摩尔体积（delta（1）/ v（1））。基于此线性函数，对扩展的液体模型进行了修改。在修改后的模型中，线性函数的斜率和截距用作拟合参数。将修改后的模型与其他两参数扩展液体模型进行比较，结果表明，修改后的模型可以提供更好的相关结果，平均绝对相对偏差（AARD）为13.31％。开发了一种团体贡献方法来估计修改后的模型中的参数。基于改进的模型和基团贡献方法，可以按数量级估算sc-CO2中大多数溶质的溶解性。 （C）2014 Elsevier B.V.保留所有权利。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱：kefu@zhangqiaokeyan.com

京公网安备：11010802029741号 ICP备案号：京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有

  • 客服微信

  • 服务号