Research Initiation Award: Exploitation of Clustering in Supercritical Fluid Solutions for Reactions and Crystallization Process

研究启动奖：利用超临界流体溶液中的团簇进行反应和结晶过程

• 批准号: 9009562
• 负责人: Joan Brennecke
• 金额: $ 7万
• 依托单位: University of Notre Dame
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 1990
• 资助国家: 美国
• 起止时间: 1990-09-01 至 1993-02-28
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9009562&HistoricalAwards=false
• 关键词: Research; Initiation; Award; Exploitation; Clustering

In recent work it has been suggested that many of the unusual and attractive properties of supercritical fluids (SCF's), including enhanced solubilities may be explained by solvent and entrainer clustering around the solute that result in local densities and concentrations that are greater than the bulk. It is proposed in a three part program to take advantage of this clustering in reactions and crystallization processes: First, to experimentally determine the effect on the reaction rate of operating in the region near the critical point where entrainers cluster around the solute, which would increase local reactant concentrations: Next, to determine the effect of varying upstream conditions on the characteristics of solid particles formed from the expansion of SCF solutions: And, finally, to develop a chemical/physical theory equation of state to describe SCF phase equilibrium with entrainers present, as encountered in the above two processes, as well as in simple extractions. The overall results of this work will be better use of the unique microscopic properties SCF solvents for reactions and crystallization processes, as well as a more realistically- based and reliable thermodynamic model upon which to design these processes.

最近的研究表明，超临界流体（SCF）的许多不寻常和吸引人的特性，包括增强的溶解度，可能是由于溶质周围的溶剂和夹带剂聚集导致局部密度和浓度大于整体。为了在反应和结晶过程中利用这种聚类，我们提出了一个由三部分组成的方案：首先，通过实验确定在临界点附近的区域操作对反应速率的影响，在该区域，夹带剂聚集在溶质周围，会增加局部反应物浓度；接下来，确定不同上游条件对SCF溶液膨胀形成的固体颗粒特性的影响：最后，建立一个化学/物理理论状态方程来描述夹带剂存在时的SCF相平衡，如在上述两个过程中遇到的，以及在简单提取中遇到的。这项工作的总体结果将更好地利用SCF溶剂独特的微观性质进行反应和结晶过程，以及基于更现实和可靠的热力学模型来设计这些过程。