1995 Fiscal Year Final Research Report Summary
A New Development of Physical Property Prediction based on the Information of Molecular Level
| Project/Area Number |
05303006
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| Research Category |
Grant-in-Aid for Co-operative Research (A)
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| Allocation Type | Single-year Grants |
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| Research Field |
化学工学一般
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| Research Institution | Kurashiki University of Science and the Arts (1995)
Kyoto University (1993-1994) |
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Principal Investigator |
NAKANISHI Koichiro Kurashiki Univ.Sci and the Arts, Professor, 産業科学技術学部, 教授 (80025890)
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| Co-Investigator(Kenkyū-buntansha) |
IRAI Yoshio Kyushu University, Associate Professor, 工学部, 助教授 (80176528)
FUJIHARA Ichiro Osaka Sangyo University, Professor, 教養部, 教授 (30148449)
MIYANO Yoshinori Kurashiki Univ.Sci and the Arts, Professor, 産業科学技術学部, 教授 (80109743)
UEMATSU Masahiko Keio University, Professor, 理工学部, 教授 (90051721)
KITAURA Kaquo Osaka Prefectural University, Professor, 総合科学部, 教授 (30132723)
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| Project Period (FY) |
1993 – 1995
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| Keywords | Physical Property Prediction / Molecular Simulation / Intermolecular Interaction |
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| Research Abstract |
This cooperative research is a fundamental study for the re-construction of the physical property prediction (PPP) method for the materials based on the information from the molecular level. The aim of the present study has always been the examination of recent advance in PPP,recommendation of the presently available best method, and the application of molecular simulations to the calculation of model fluids. Although some solutions to such assignmentshave been achieved in several topics (e.g., diffusion coefficient, PVT relation, etc.) it is recognized that much should have to be done continuously in future to establish the PPP methods for various properties and for now high-functionality materials.
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Research Products
(16 results)
