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

9602960古宾斯这个美洲项目奖将支持康奈尔大学的基思·E·古宾斯博士和委内瑞拉加拉加斯西蒙·玻利瓦尔大学的埃里希·米勒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碳的狭窄孔隙中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/烃和水/羧酸混合物的吸附行为的影响，并研究孔内的动态行为和扩散速率。将使用的方法包括大正则蒙特卡罗和平衡和非平衡分子动力学模拟。比较这两种方法的结果将澄清这些系统中鲜为人知的限制效应。这项研究的总体目标是为石油和石化行业使用的吸附剂和吸附工艺以及从空气和水流中去除污染物提出新的和优化的设计。***

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. ***