New Directions in the Study of Ice, Water and Interfacial Phenomena

冰、水和界面现象研究的新方向

• 批准号: 0616872
• 负责人: Sherwin Singer
• 金额: $ 39万
• 依托单位: Ohio State University Research Foundation -DO NOT USE
• 依托单位国家: 美国
• 项目类别: Continuing Grant
• 财政年份: 2006
• 资助国家: 美国
• 起止时间: 2006-09-01 至 2010-08-31
• 项目状态: 已结题
• 来源: https://www.nsf.gov/awardsearch/showAward?AWD_ID=0616872&HistoricalAwards=false
• 关键词: New; Directions; Study; Ice; Water

Sherwin J. Singer of Ohio State University is supported by an award from the Theoretical and Computational Chemistry program for research on the physics of ice, its thermodynamics, dielectric properties, and its defects. Two broad areas of research are being done. The first involves a study of the properties of ice from first principles, while the second involves the study of an important interfacial problem, the carbon dioxide vapor/water interface. Specific topics which are being explored in this research include the further development of the PI's graph invariant approach, a further exploration of new ice phases, the development of the PI's ideas for determining and understanding the properties of ice, and the use of computational tools to understand and explain ionic and neutral defects in ice. The second project, the study of the carbon dioxide vapor/water interface, is be carried out in conjunction with an experimental collaborator. The work is having a broader impact by revealing fundamental properties of water, arguably the world's most important solvent.

俄亥俄州立大学的Sherwin J. Singer获得了关于冰，其热力学，介电特性及其缺陷的理论和计算化学研究计划的奖项。 正在完成两个广泛的研究领域。 第一个涉及对第一原理冰的性质的研究，而第二个涉及研究重要的界面问题，即二氧化碳蒸气/水界面。 这项研究中正在探索的具体主题包括PI的图形不变方法的进一步发展，对新冰阶段的进一步探索，PI的发展，用于确定和理解冰的特性的思想以及使用计算工具来理解和解释冰中的离子和中性缺陷。 第二个项目是对二氧化碳/水接口的研究，与实验合作者一起进行。 这项工作是通过揭示水的基本特性，可以说是世界上最重要的溶剂。