Solving the solvent problem in chemical modelling

解决化学建模中的溶剂问题

• 批准号: FT210100663
• 负责人: A/Prof Timothy Gould
• 金额: $ 65.18万
• 依托单位: Griffith University
• 依托单位国家: 澳大利亚
• 项目类别: ARC Future Fellowships
• 财政年份: 2022
• 资助国家: 澳大利亚
• 起止时间: 2022-06-30 至 2026-06-29
• 项目状态: 未结题
• 来源: https://dataportal.arc.gov.au/RGS/Web/Grants/FT210100663
• 关键词: Solving; solvent; problem; chemical; modelling

This project aims to produce highly accurate, user-friendly chemical solvent models using interdisciplinary theoretical chemistry techniques. The benefits of these novel models are extremely broad since chemical modelling is more impactful than traditional laboratory based techniques in solving multi-faceted modern chemical problems. The proposed outcomes of the project are significant, as they will transform how applied research solves difficult and expensive real world chemical problems by allowing researchers to reliably include solvents in their models. It will have economic benefits for the chemical, mining and materials sectors in Australia, which represent billion-dollar industries.

该项目旨在使用跨学科的理论化学技术产生高度精确，用户友好的化学溶剂模型。这些新模型的好处是非常广泛的，因为化学建模比传统的基于实验室的技术在解决多方面的现代化学问题更有影响力。该项目提出的成果意义重大，因为它们将改变应用研究如何解决困难和昂贵的现实世界化学问题，允许研究人员在他们的模型中可靠地包括溶剂。它将为澳大利亚的化工、采矿和材料行业带来经济效益，这些行业代表着数十亿美元的产业。