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Presidential Young Investigators Award: Thermodynamics and Transport Properties of Liquid-Crystalline Mixtures - Theory and Experiment

Presidential Young Investigators Award: Thermodynamics and Transport Properties of Liquid-Crystalline Mixtures - Theory and Experiment
总统青年研究员奖:液晶混合物的热力学和输运特性 - 理论与实验
批准号:
9057161
负责人:
David Kofke
金额:
$15.0万
依托单位:
依托单位国家:
美国
项目类别:
Continuing Grant
财政年份:
1990
资助国家:
美国
项目状态:
已结题
起止时间:
1990-09-01 至 1996-08-31

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中文摘要
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英文摘要
Thermodynamics and transport properties of liquid-crystalline mixtures - Theory and Experiment Liquid crystals (LC), especially their mixtures, are used extensively in many technological applications, and in biological systems their presence is widespread. Despite their importance, an understanding of their thermodynamics and transport properties is very poor, especially at the microscopic level. In this research the PI will use statistical mechanical theories (both the composition-space DFT as well as the traditional configuration-space DFT), molecular simulation, and experiment to study the dynamics and thermodynamic behavior of LC substances in the presence of various types of solutes. These studies are designed to satisfy several goals, including: (1) to explore the limits of both types of DFT; (2) to produce a comprehensive set of experimental data on the behavior of LC mixtures; (3) to validate some model potentials through comparison with the experimental data; and (4) to provide a molecular-level understanding of the behavior of LC mixtures to a degree which cannot be achieved by any other means.
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CDS&E: Rigorous formulas for industrial supercritical-fluid mixture properties via systematic evaluation of molecular virial coefficients, and methods to expand their applicati
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    2022
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SI2-SSE: Infrastructure Enabling Broad Adoption of New Methods That Yield Orders-of-Magnitude Speedup of Molecular Simulation Averaging
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    1739145
  • 项目类别:
    Standard Grant
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  • 财政年份:
    2017
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CDS&E: Development and application of cluster-integral methods for dispersions and complex solutions
  • 批准号:
    1464581
  • 项目类别:
    Standard Grant
  • 资助金额:
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    2015
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UNS: Detailed molecular-thermodynamic methods for high-precision calculation of condensation, criticality, and supercritical behaviors of fluids and fluid mixtures
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    1510017
  • 项目类别:
    Standard Grant
  • 资助金额:
    $32.46万
  • 财政年份:
    2015
  • 负责人:
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