Research Initiation Award: Development of a Civilized Model of Electrolyte Solutions

研究启动奖：电解质溶液文明模型的开发

• 批准号: 9410211
• 负责人: Walter Chapman
• 金额: $ 9万
• 依托单位: William Marsh Rice University
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 1994
• 资助国家: 美国
• 起止时间: 1994-09-15 至 1998-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=9410211&HistoricalAwards=false
• 关键词: Research; Initiation; Award; Development; Civilized

SUMMARY OF PANEL DISCUSSION Proposal Number: CTS-9410211 P.I.: W. Chapman Institution: Rice University The problem addressed here is the development of new, more successful statistical mechanical models for electrolyte solutions. Existing models (beyond Debye-Huckel) belong to two categories: a) "primitive models" (PM) where the solvent is treated as a continuum and b) "civilized models" (CM) where the molecular nature of the solvent is taken into account. The PI's plan consists of improving existing CM models and successful primitive models (like the "Sticky Electrolyte Model") and testing them by molecular simulations. Furthermore, he plans to develop appropriate integral equation theories at his level of modeling. According to the PI, these improved models have the flexibility to describe complicated electrolyte systems (e.g., non-spherical ions and polyelectrolytes). -The PI is very knowledgeable and well-versed in his area, and his past work is highly regarded. -The plan of the proposed work should have been more detailed, especially in the direction of polyelectrolytes which is the most promising. -The PI is in a very competitive group and therefore he must excel in order to distinguish himself among his peers.

小组讨论摘要 提案编号：CTS-9410211 负责人：W. Chapman 机构：莱斯大学 这里解决的问题是为电解质溶液开发新的、更成功的统计力学模型。 现有模型（超越 Debye-Huckel）属于两类：a）“原始模型”（PM），其中溶剂被视为连续体；b）“文明模型”（CM），其中考虑溶剂的分子性质帐户。 PI 的计划包括改进现有的 CM 模型和成功的原始模型（如“粘性电解质模型”）并通过分子模拟对其进行测试。 此外，他计划在他的建模水平上开发适当的积分方程理论。 根据 PI 的说法，这些改进的模型可以灵活地描述复杂的电解质系统（例如非球形离子和聚电解质）。 - PI 知识渊博，精通其领域，并且他过去的工作受到高度评价。 -拟议工作的计划应该更详细，特别是在最有前途的聚电解质方向。 -PI处于一个竞争非常激烈的团队中，因此他必须表现出色才能在同行中脱颖而出。