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タイトル: | A Simple Model of Planar Membrane: An Integral Equation Investigation |
著者: | Yagi, Tomoaki Sato, Hirofumi ![]() ![]() ![]() |
著者名の別形: | 矢木, 智章 佐藤, 啓文 |
キーワード: | membrane a binary mixture 2D RISM |
発行日: | 5-Dec-2018 |
出版者: | Wiley |
誌名: | Journal of Computational Chemistry |
巻: | 39 |
号: | 31 |
開始ページ: | 2576 |
終了ページ: | 2581 |
抄録: | A simple model of a lipid membrane, a binary mixture of saturated lipids and unsaturated lipids, was studied using an integral equation theory. The planar membrane is modeled as mixture of linear and bent molecules in two‐dimensional space, and site–site radial distribution function, Kirkwood–Buff (KB) integral and related quantities were computed over the whole range of the molar fraction to understand their mixing behavior. We found that a close packing of linear molecules is enhanced as the fraction of bent molecules increases, but a long range correlation between the linear molecules is weakened. A high concentration of linear molecules promotes the demixing of linear molecules and bent molecules, and enhances the long range correlation between molecules. This implies that, the higher the concentration of linear molecules, the larger clusters tend to be formed. |
著作権等: | This is the accepted version of the following article: [Tomoaki Yagi, Hirofumi Sato. A simple model of planar membrane: An integral equation investigation. Journal of Computational Chemistry, 39(31), 2576-2581], which has been published in final form at https://doi.org/10.1002/jcc.25638. This article may be used for non-commercial purposes in accordance with Wiley Terms and Conditions for Self-Archiving. The full-text file will be made open to the public on 28 November 2019 in accordance with publisher's 'Terms and Conditions for Self-Archiving'. This is not the published version. Please cite only the published version. この論文は出版社版でありません。引用の際には出版社版をご確認ご利用ください。 |
URI: | http://hdl.handle.net/2433/235679 |
DOI(出版社版): | 10.1002/jcc.25638 |
PubMed ID: | 30394542 |
出現コレクション: | 学術雑誌掲載論文等 |

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