Theoretical Studies of the Liquid State
液态的理论研究
基本信息
- 批准号:9422999
- 负责人:
- 金额:$ 38.6万
- 依托单位:
- 依托单位国家:美国
- 项目类别:Continuing Grant
- 财政年份:1995
- 资助国家:美国
- 起止时间:1995-04-01 至 1999-03-31
- 项目状态:已结题
- 来源:
- 关键词:
项目摘要
Professor David Oxtoby, University of Chicago, is supported by a grant from the Theoretical and Computational Chemistry Program to continue his research in theoretical studies of nucleation. Oxtoby uses techniques of statistical mechanics, specifically density functional methods, to explore phase changes involving liquids: the condensation of liquids from the vapor and the crystallization of liquids to form solids. The rates of these phase changes depend critically on the process of nucleation, the first appearance of a new phase at the center of an existing metastable phase. Oxtoby's work seeks to apply new theoretical approaches to predict the rates of formation and the atomic structures of the critical nuclei that from the barrier to the formation of new phases. The theoretical approaches being developed by Oxtoby will be applicable to both the nucleation of liquids from gases and the nucleation of crystalline solids from liquids. A familiar example of nucleation of liquids from gases is the condensation of water vapor in clouds. There is considerable current interest in the formation of polar stratospheric clouds, which are thought to play a key role in the depletion of ozone over the poles. In all such processes, the first barrier which must be surmounted is the formation of critical nuclei on which other molecules then condense. Oxtoby's research will lead to a theoretical molecular level interpretation of the nucleation event in such systems.
芝加哥大学的大卫·奥克斯托比教授得到了一笔赠款的支持 从理论和计算化学计划,继续他的 成核的理论研究。 Oxtoby使用的技术 统计力学,特别是密度泛函方法, 探索涉及液体的相变:液体的冷凝, 蒸汽和液体结晶形成固体。 率 这些相变的关键取决于成核过程, 一个新的阶段在现有的中心的第一次出现 亚稳相 Oxtoby的工作旨在应用新的理论 的形成速率和原子结构的预测方法, 从势垒到新相形成的临界晶核。 Oxtoby正在开发的理论方法将适用于 从气体到液体的成核和 从液体中分离出结晶固体。 气体成液成核的一个熟悉的例子是 云中水汽的凝结。 有相当大的电流 对极地平流层云的形成感兴趣, 被认为在两极臭氧消耗中起着关键作用。 在 所有这些过程,必须克服的第一个障碍是 形成临界核,然后其他分子在其上凝聚。 奥克斯托比的研究将导致理论分子水平 解释这种系统中的成核事件。
项目成果
期刊论文数量(0)
专著数量(0)
科研奖励数量(0)
会议论文数量(0)
专利数量(0)
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David Oxtoby其他文献
Driver Profiling and Bayesian Workload Estimation Using Naturalistic Peripheral Detection Study Data
使用自然外围设备检测研究数据进行驾驶员分析和贝叶斯工作负载估计
- DOI:
10.1109/tiv.2023.3313419 - 发表时间:
2023 - 期刊:
- 影响因子:8.2
- 作者:
Nermin Caber;B. I. Ahmad;Jiaming Liang;S. Godsill;Alexandra W. D. Bremers;Philip Thomas;David Oxtoby;L. Skrypchuk - 通讯作者:
L. Skrypchuk
David Oxtoby的其他文献
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{{ truncateString('David Oxtoby', 18)}}的其他基金
Dynamics of First-Order Phase Transitions
一阶相变动力学
- 批准号:
0241044 - 财政年份:2003
- 资助金额:
$ 38.6万 - 项目类别:
Continuing Grant
Dynamics of First-Order Phase Transitions
一阶相变动力学
- 批准号:
9800074 - 财政年份:1998
- 资助金额:
$ 38.6万 - 项目类别:
Continuing Grant
Theoretical Studies of the Liquid State
液态的理论研究
- 批准号:
9123172 - 财政年份:1992
- 资助金额:
$ 38.6万 - 项目类别:
Continuing Grant
Theoretical Studies of the Liquid State
液态的理论研究
- 批准号:
8822159 - 财政年份:1989
- 资助金额:
$ 38.6万 - 项目类别:
Continuing Grant
Density Functional Theories of Freezing and Interfaces
冻结和界面的密度泛函理论
- 批准号:
8702048 - 财政年份:1987
- 资助金额:
$ 38.6万 - 项目类别:
Standard Grant
Theoretical Studies of the Liquid State
液态的理论研究
- 批准号:
8520520 - 财政年份:1986
- 资助金额:
$ 38.6万 - 项目类别:
Continuing Grant
Theoretical Studies of Condensed Phase Relaxation (Chemistry)
凝聚相弛豫的理论研究(化学)
- 批准号:
8219440 - 财政年份:1983
- 资助金额:
$ 38.6万 - 项目类别:
Continuing Grant
Theoretical Studies of Collision Induced Spectroscopy and Condensed Phase Relaxation
碰撞诱导光谱与凝聚相弛豫的理论研究
- 批准号:
8106068 - 财政年份:1981
- 资助金额:
$ 38.6万 - 项目类别:
Continuing Grant
Collision-Induced Scattering and Absorption By Atoms and Molecules
原子和分子碰撞引起的散射和吸收
- 批准号:
7801596 - 财政年份:1978
- 资助金额:
$ 38.6万 - 项目类别:
Continuing Grant
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液态离子过程的理论研究
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- 批准号:
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Theoretical Studies of Ion Processes in the Liquid State
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- 批准号:
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CAREER: Experimental and Theoretical Studies of Mechanics Interacting with Electric/Optical Fields in Liquid Crystal Elastomers
职业:液晶弹性体中与电场/光场相互作用的力学实验和理论研究
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Experimental and theoretical studies of phase-change Ge-Sb-Te alloys in the liquid state
液态相变Ge-Sb-Te合金的实验与理论研究
- 批准号:
230710114 - 财政年份:2013
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