Molecular Modeling of Ion Transport and Separation in Nanochannels

纳米通道中离子传输和分离的分子模型

• 批准号: 0730026
• 负责人: Sohail Murad
• 金额: $ 27万
• 依托单位: University of Illinois at Chicago
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2007
• 资助国家: 美国
• 起止时间: 2007-09-01 至 2014-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0730026&HistoricalAwards=false
• 关键词: Molecular; Modeling; Ion; Transport; Separation

Proposal Title: Molecular Modeling of Ion Transport and Separation in NanochannelsProposal Number: CBET-0730026Principal Investigator: Sohail MuradInstitution: University of Illinois ChicagoThe objectives of the proposed research are to understand the general details of ion transport and the essential structural and dynamic characteristics for transport of charged particles through a nanochannel under passive, pressure-driven or electric field driven conditions, so as to improve controllability and selectivity. Biological ion channels are themselves nanofluidic devices; however, the level of complexity present in such channels obscures the properties that are the basic essentials of an ion-selective nanochannel. Ion permeation of nanochannels will be studied as a general phenomenon, starting with the simplest model for a nanochannel and increasing the complexity of the model in a stepwise manner by adding attributes that will permit answering some of the questions that are being asked about nanofluidic devices.. Simplified pore models permit investigation of the primary characteristics of a conduction pathway: the shape, radius, and length of the pore, the chemical (hydrophobic or hydrophilic) nature of the pore wall surface, its surface roughness and flexibility, the presence and distribution of surface charges, the presence of an external electric field. Broader Impact: Recent advances in the fabrication of confined fluidic systems such as nanoscale lab-on-a-chip devices and nanofabricated pores raise fundamental questions about ion transport in nanochannels. Solvent slip along the hydrophobic walls of the carbon nanotube is controlled by fluid-wall interactions. Investigation of such slip flow behavior and other characteristics of flow in nanotubes can be vital for generating the high throughput rates required in nanofluidic devices employing carbon nanotubes. In addition similar issues play an important role in transport processes in biological membranes, and cellular functions. This research will provide training for undergraduate and graduate students and will prepare highly skilled technical personnel with broad knowledge encompassing engineering, chemistry, biology, and nanotechnology. The PIs have been actively participating in the WISEST (Women in Science and Engineering System Transformation) program at UIC and will continue those activities through this grant.

提案标题：纳米渠道港口中离子传输和分离的分子建模编号：CBET-0730026PRINCIPAL研究者：Sohail Muradinstitution：拟议研究的伊利诺伊州Chicagothe目标的sohail Muradinstitution旨在了解离子运输的一般细节以及基本的结构和动态特征在被动，压力驱动或电场驱动条件下通过纳米通道带电的颗粒，以提高可控性和选择性。生物离子通道本身就是纳米流体设备；但是，这种通道中存在的复杂性水平掩盖了离子选择性纳米通道的基本要素的性质。 从纳米通道的最简单模型开始，将研究纳米通道的离子渗透，并通过添加属性添加属性，以允许回答有关纳米流体设备的一些问题，从而以逐步的方式提高模型的复杂性。简化的孔模型允许研究传导途径的主要特征：孔的形状，半径和长度，孔隙壁表面的化学（疏水或疏水性）性质，其表面粗糙度和柔韧性表面电荷，外部电场的存在。更广泛的影响：制造有限流体系统的最新进展，例如纳米级实验室芯片设备和纳米制造的毛孔，提出了有关纳米渠道离子运输的基本问题。沿碳纳米管的疏水壁沿溶剂滑动受流体壁相互作用的控制。对纳米管中这种滑动流动行为和其他流动特征的研究对于使用碳纳米管的纳米流体设备所需的高吞吐率至关重要。另外，类似问题在生物膜和细胞功能的运输过程中起着重要作用。 这项研究将为本科和研究生提供培训，并将为具有广泛知识的高技能技术人员准备涵盖工程，化学，生物学和纳米技术。 PI一直在UIC积极参与最聪明的（科学和工程系统转型女性）计划，并将通过这笔赠款继续这些活动。