Models of One-Dimensional Transport

一维传输模型

• 批准号: 0206733
• 负责人: Tom Chou
• 金额: $ 16.9万
• 依托单位: University of California-Los Angeles
• 依托单位国家: 美国
• 项目类别: Standard Grant
• 财政年份: 2002
• 资助国家: 美国
• 起止时间: 2002-07-01 至 2006-06-30
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0206733&HistoricalAwards=false
• 关键词: Models; Dimensional; Transport

Proposal #0206733PI: Thomas ChouInstitution: University of California at Los AngelesTitle: Models of One-Dimensional TransportABSTRACTThe proposed research explores the mathematical and physical aspects of particle transport in one-dimensional channels. Mean-field analysis of Asymmetric Exclusion Processes (ASEP) will be studied analytically and extended to include spatially varying pore-particle interactions and time-dependent behavior. A three-state ASEP will also be developed for modeling proton conduction along water wires. Mean-field and Monte Carlo simulations will be used to obtain steady-state proton currents as functions of both proton concentration and electric potential differences across the pore. Finally, an analysis of interacting particle transport across periodically structured pores will be performed. Analogies with commensurate-incommensurate phase transitions will be explored within Frenkel-Kontorowa type models. Pore transport is a general process vital for separations and catalysis technologies, electrochemical applications, and cell function. In the limit of small, molecular-sized pores connecting two particle reservoirs, the motions of the transported species can be restricted to one dimension. One-dimensional pores are reasonable models for an enormous number of systems including ion channels in cells (which mediate electrolyte balance) and zeolites (minerals that are used to separate hydrocarbon products and mediate chemical reactions). Therefore, theoretical models that can predict the rate at which molecules enter and react within structured one-dimensional channels will aid in the design of molecularly tailored pores in both the industrial and biological settings. Computational simulations will be used to validate the proposed theoretical models.

提案#0206733PI: Thomas choui机构：加州大学洛杉矶分校：一维传输模型（Models of One-Dimensional transport）【摘要】该提议的研究探索了一维通道中粒子传输的数学和物理方面。非对称排斥过程（ASEP）的平均场分析将进行分析研究，并扩展到包括空间变化的孔隙-颗粒相互作用和时间依赖行为。一个三态ASEP也将用于模拟沿水线的质子传导。平均场和蒙特卡罗模拟将用于获得稳态质子电流作为质子浓度和电位差在孔隙中的函数。最后，将进行周期性结构孔隙中相互作用粒子输运的分析。将在Frenkel-Kontorowa型模型中探讨与相应不相称相变的类比。孔隙传输是分离和催化技术、电化学应用和细胞功能的重要过程。在连接两个颗粒储集层的小的、分子大小的孔隙的限制下，被输送物质的运动可以被限制在一个维度上。一维孔隙是大量系统的合理模型，包括细胞中的离子通道（调节电解质平衡）和沸石（用于分离碳氢化合物产物和调节化学反应的矿物质）。因此，能够预测分子进入和在结构一维通道内反应速率的理论模型将有助于在工业和生物环境中设计分子定制孔。计算模拟将用于验证所提出的理论模型。