Accurate quantum modeling of the van der Waals interaction and its application to molecular physisorption onto surfaces.

范德华相互作用的精确量子建模及其在表面分子物理吸附中的应用。

• 批准号: DP0556439
• 负责人: Prof Ian Snook
• 金额: $ 19.44万
• 依托单位: RMIT University
• 依托单位国家: 澳大利亚
• 项目类别: Discovery Projects
• 财政年份: 2005
• 资助国家: 澳大利亚
• 起止时间: 2005-01-01 至 2009-12-31
• 项目状态: 已结题
• 来源: https://dataportal.arc.gov.au/RGS/Web/Grants/DP0556439
• 关键词: Accurate; quantum; modeling; van; der

Developing zero emission clean fuel technology for transportation and developing sensitive diagnostic markers for medical diagnosis will clearly benefit Australia. In both cases large technological challenges need to be overcome. This investigation will provide theoretical insight and understanding into the molecular processes which underpin these highly desirable technologies and aid scientists and engineers in their development. A further, more general, outcome will be an accurate and predictive methodology for investigating nanotechnology problems in any material where molecular physisorption is an important process.

开发用于交通的零排放清洁燃料技术以及开发用于医疗诊断的敏感诊断标记物显然将使澳大利亚受益。在这两种情况下，都需要克服巨大的技术挑战。这项研究将提供理论上的洞察力和理解的分子过程，支持这些非常可取的技术，并帮助科学家和工程师在他们的发展。更进一步，更普遍的，结果将是一个准确的和预测的方法，用于调查纳米技术的问题，在任何材料中，分子物理吸附是一个重要的过程。