夏陆岳,李卓,蔡亦军,张洪德,潘海天

• 1:浙江工业大学化学工程学院
• 2:浙江省生物燃料利用技术研究重点实验室

摘要(Abstract)：

CO_2在离子液体中溶解度是离子液体对CO_2进行捕集回收的重要基础数据之一,研究提出了一种半经验半机理模型,用于预测CO_2在离子液体中溶解度。首先,基于Krichevsky-Kasarnovsky方程的先验机理知识构建了预测模型,并利用亨利常数经验Valentiner式和无限稀释偏摩尔体积经验多项式修正该模型,以提高模型的应用范围;将CO_2在多种离子液体和相应压力、温度范围中的溶解度实验数据分为训练集和测试集,训练集实验数据涵盖了相应的操作条件范围,采用非线性最小二乘优化算法对模型参数进行学习和修正,以提高模型的预测精度;然后,利用测试集对所建模型的预测性能进行评测,模型评测结果表明:该预测模型可用于CO_2在多种离子液体中的溶解度预测,预测结果与相应实验数据较为吻合,模型预测性能良好。研究工作为进一步丰富和完善CO_2在离子液体中溶解度的数据信息分析,提供了一种理论方法。

关键词(KeyWords)： 离子液体;溶解度;模型;预测

Abstract:

Keywords:

基金项目(Foundation): 国家自然科学基金(21676251)

作者(Author): 夏陆岳,李卓,蔡亦军,张洪德,潘海天

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