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

在最近的工作中，有人提出，超临界流体(SCF)的许多不寻常和吸引人的性质，包括增加的溶解度，可以用溶剂和夹带剂聚集在溶质周围来解释，这些聚集导致局部密度和浓度大于整体。在三个部分的程序中提出了在反应和结晶过程中利用这种聚集：首先，通过实验确定在夹带剂聚集在溶质周围的临界点附近的区域中操作对反应速率的影响，这将增加局部反应物浓度：其次，为了确定上游条件变化对超临界流体溶液膨胀形成的固体颗粒特性的影响；最后，发展了一个化学/物理理论状态方程来描述存在夹带剂的超临界流体相平衡，就像在上述两个过程中以及在简单的萃取中所遇到的那样。这项工作的总体结果将是更好地利用独特的微观性质的超临界流体溶剂进行反应和结晶过程，以及一个更现实和可靠的热力学模型来设计这些过程。

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.