書誌事項
- タイトル別名
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- Novel Modeling Methodology for Membranes Study
- ケイサン カガク ノ オウヨウ テンカイ
- 公開日
- 2009
- 資源種別
- journal article
- DOI
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- 10.5360/membrane.34.212
- 公開者
- 日本膜学会
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説明
Computational chemistry technique has been applied to the study of functional materials including membrane sep-aration medium for the past a decade. These studies have provided important findings regarding to separation mech-anism as well as the detail structure of membranes from the microscopic point of view. We have recently proposed“combinatorial computational chemistry”, “multiscale computational chemistry”and “multi–physics computationalchemistry”as new concepts for useful tool to develop novel functional materials. Combinatorial computational chem-istry is a methodology for theoretical material screening to seek optical membrane for particular separation system.Multiscale computational chemistry and multi–physics computational chemistry are concept combing different theo-retical methods that are validated only for individual time or size scales, which is useful for seamless understandingof interested phenomena from micro-scale to macro–scale. In this paper, some theoretical studies based on this newconcept are presented. The applications to membrane characterization of dialysismembranes, theoretical screeningmethodology for porous membranes for specific gas purification, degradation mechanism of polymer electrolytemembranes in fuel cell, and modeling of fouling in water purification system are discussed.
収録刊行物
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- 膜
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膜 34 (4), 212-219, 2009
日本膜学会
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詳細情報 詳細情報について
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- CRID
- 1390282681400550784
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- NII論文ID
- 10026336310
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- NII書誌ID
- AN0023215X
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- ISSN
- 18846440
- 03851036
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- NDL書誌ID
- 10385720
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- 本文言語コード
- ja
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- 資料種別
- journal article
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- データソース種別
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- JaLC
- NDLサーチ
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