U.S.-Venezuela Cooperative Research: Modeling Adsorption and Dynamics of Water and Aqueous Solutions on Activated Carbons

美国-委内瑞拉合作研究：模拟水和水溶液在活性炭上的吸附和动力学

• 批准号: 9602960
• 负责人: Keith Gubbins
• 金额: $ 3.83万
• 依托单位: Cornell University
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 1997
• 资助国家: 美国
• 起止时间: 1997-03-01 至 2000-02-29
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9602960&HistoricalAwards=false
• 关键词: U.S.; Venezuela; Cooperative; Research; Modeling

9602960 Gubbins This Americas Program award will support a collaborative research project between Dr. Keith E. Gubbins, Cornell University and Dr. Erich Mueller, Universidad Simon Bolivar, Caracas, Venezuela. They will study the equilibrium and dynamic behavior of water and aqueous solutions when confined within the narrow pores of activated carbons. The objectives of the work are to determine the effects of confinement on the adsorption behavior of pure water, water/hydrocarbon and water/carboxilyc acid mixtures, and investigate the dynamic behavior and diffusion rates in the pores. Methods to be used will include Grand Canonical Monte Carlo and equilibrium and nonequilibrium Molecular Dynamics simulation. Comparisons of results from both methods will clarify the poorly understood confinement effects in these systems. A general aim of this research is to suggest new and optimal designs for adsorbents and adsorption processes for use in the oil and petrochemical industry, and for the removal of pollutants from air and water streams. ***

9602960 Gubbins 该美洲计划奖将支持康奈尔大学 Keith E. Gubbins 博士和委内瑞拉加拉加斯西蒙玻利瓦尔大学 Erich Mueller 博士之间的合作研究项目。 他们将研究水和水溶液被限制在活性炭窄孔内时的平衡和动态行为。这项工作的目的是确定限制对纯水、水/碳氢化合物和水/羧酸混合物吸附行为的影响，并研究孔隙中的动态行为和扩散速率。 使用的方法包括大正则蒙特卡罗以及平衡和非平衡分子动力学模拟。 两种方法结果的比较将澄清这些系统中人们知之甚少的限制效应。 这项研究的总体目标是为石油和石化工业中使用的吸附剂和吸附工艺以及去除空气和水流中的污染物提出新的优化设计。 ***