对于深层环氧溶剂的固体-液体平衡活动建模
Laura J B M Kollau1,2, Mark Vis1,2, Adriaan van den Bruinhorst1
1Laboratory of Physical Chemistry, Department of Chemical Engineering and Chemistry, Eindhoven University of Technology, P.O. Box 513, 5600MB Eindhoven, The Netherlands.
概括
深度性溶剂 (DES) 为传统溶剂提供了一个可持续的替代品. 这项研究详细介绍了它们的相位图,并展示了修改后的热力学模型如何准确地描述它们的非理想液体行为.
科学领域:
- 绿色化学 绿色化学
- 材料科学 材料科学 材料科学
- 热力学是一种热力学.
背景情况:
- 深度性溶剂 (DES) 正在成为化学工业中可持续的替代品.
- DESs是二元混合物,由于强烈的分子间相互作用,它们具有显著的点压缩.
- 了解它们的相位行为对于它们的应用和设计至关重要.
研究的目的:
- 用实验来确定不同非理想性的新型DES的相图.
- 评估热力学模型在描述DES固体-液体平衡中的准确性.
- 为了将模型参数与DES混合物的非理想行为相关联.
主要方法:
- 对多个DES的固体-液体相图的实验测量.
- 热力学模型的应用和评估,包括直角多项式 (OP) 扩展.
- 分析活动系数以了解不对称的行为.
主要成果:
- 介绍了各种DES的实验阶段图,展示了一系列的非理想性.
- 证明直角的雷德利希-基斯特类多项式 (OP) 扩展准确地描述了固体-液体平衡.
- 建立了模型参数与观察到的非理想和不对称行为之间的联系.
结论:
- 修改后的OP扩展提供了对DES相位行为准确的热力学描述.
- 这种模型是正规解决理论的延伸,允许对参数进行物理解释.
- 通过预测它们的液体范围和行为,研究结果促进了DES的设计和应用.
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