Adsorption of Fluid Mixtures in Micropores: Simulation and Experiment

微孔中流体混合物的吸附：模拟与实验

• 批准号: 9213832
• 负责人: Alan Myers
• 金额: $ 28.2万
• 依托单位: University of Pennsylvania
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 1993
• 资助国家: 美国
• 起止时间: 1993-01-01 至 1996-12-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9213832&HistoricalAwards=false
• 关键词: Adsorption; Fluid; Mixtures; Micropores; Simulation

Adsorption is under development worldwide as a chemical- engineering unit operation for the separation and purification of gaseous and liquid mixtures. In addition to separation of air into its components and removal of pollutants from air and water streams, adsorption is being considered for a host of new applications, including separation of proteins from bioreactor product streams, recovery of carbon dioxide from combustion of fossil fuels, recovery of uranium from sea water, methane storage, and ultrapurification of water and raw materials for the electronics industry. Current research using molecular simulation by grand canonical Monte Carlo and molecular dynamics is providing new insights into the physics of adsorption. Results from these fundamental investigations provide a solid foundation for the development of new theories to replace the classical thermodynamic methods. The objective of this research is to bridge the gap between adsorption theory and practice by developing a molecular theory capable of predicting preferential adsorption from fluid mixtures. Adsorption isotherms of single gases and their binary mixtures, and isosteric heats of adsorption of single gases, will be measured. Experimental data collected for four binary systems will serve to test theories for predicting mixed-gas adsorption equilibria from single component isotherms and heats of adsorption.

吸附作为一种化学物质在世界范围内正在发展中- 分离纯化工程单元操作 气体和液体的混合物。 除了分离， 将空气分解成其组成部分并从空气中去除污染物， 水流，吸附正在考虑为主机 新的应用，包括分离蛋白质， 生物反应器产物流、从生物反应器中回收二氧化碳 燃烧化石燃料，从海洋中回收铀 水、甲烷储存以及水和原料的超净化 电子工业的材料。 巨正则分子模拟的研究现状 蒙特卡罗和分子动力学提供了新的见解 吸附的物理学。 从这些 基本的调查研究提供了坚实的基础， 发展新的理论来取代传统的 热力学方法 本研究的目的是 在吸附理论和实践之间架起差距的桥梁， 发展出一种分子理论 从流体混合物中优先吸附。 单一气体及其二元气体的吸附等温线 混合物，和单一气体的等量吸附热， 将被衡量。 实验数据收集四个二进制 系统将用于测试预测混合气体的理论 单组分等温吸附平衡， 吸附热