1-4-1 石炭の分子構造モデル構築
書誌事項
- タイトル別名
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- 1-4-1 Construction of Three-Dimensional Molecular Aggregation Model of Coal
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説明
<p>We constructed three-dimensional molecular aggregation models of coals to clarify the mechanism of thermal relaxation behavior of coal. First, average molecular structures of four fractions were determined, which were obtained by solvent extraction with magic solvent (mixed solvent of CS2/NMP), acetone, and pyridine. Then, by molecular dynamics simulation, the three-dimensional molecular aggregation models were constructed, and their densities at various temperatures were calculated. The models were valid enough to describe the difference between glass transition temperatures of coals, and enabled us to analyze the variation of molecular interaction forces at arbitrary temperatures.</p>
収録刊行物
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- 日本エネルギー学会大会講演要旨集
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日本エネルギー学会大会講演要旨集 28 (0), 22-23, 2019-07-31
一般社団法人 日本エネルギー学会
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詳細情報 詳細情報について
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- CRID
- 1390282763132197760
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- NII論文ID
- 130007685845
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- ISSN
- 24238325
- 24238317
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- 本文言語コード
- ja
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- データソース種別
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- JaLC
- CiNii Articles
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- 抄録ライセンスフラグ
- 使用不可
