Modeling Adsorption Equilibria in Porous and Heterogeneous Solids

模拟多孔和非均质固体中的吸附平衡

• 批准号: 9115297
• 负责人: Peter Monson
• 金额: $ 23.6万
• 依托单位: University of Massachusetts Amherst
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 1992
• 资助国家: 美国
• 起止时间: 1992-01-15 至 1995-06-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9115297&HistoricalAwards=false
• 关键词: Modeling; Adsorption; Equilibria; Porous; Heterogeneous

Molecular theory will be applied to the thermodynamics of adsorption in porous and heterogeneous solids. This work will improve the fundamental thermodynamic basis for separations based upon selective adsorption form fluid mixtures. Particular emphasis is placed upon bridging the gap between recent developments in statistical mechanics and engineering applications. The two major thrusts are: 1) development of analytic expressions for adsorption equilibrium in porous solids and 2) the development of models for the influence of microstructure upon adsorption in heterogeneous solids such as silica gel and activated carbon. Analytic solutions of one- dimensional models will be used to analyze assumptions built into existing adsorption models and will provide a basis for improving them. Monte Carlo simulations of detailed three- dimensional molecular models will be used to determine the effect of microstructure of the adsorbent on the adsorption equilibrium.

分子理论将应用于多孔和异质固体中吸附的热力学。 这项工作将改善基于选择性吸附流体混合物的分离的基本热力学基础。 特别强调弥合统计力学和工程应用的最新发展之间的差距。 两个主要推动力是：1）开发多孔固体中吸附平衡的解析表达式；2）开发微观结构对异质固体（例如硅胶和活性炭）中吸附的影响的模型。 一维模型的解析解将用于分析现有吸附模型中内置的假设，并为改进它们提供基础。 详细三维分子模型的蒙特卡罗模拟将用于确定吸附剂的微观结构对吸附平衡的影响。