Investigation of visualization of intermolecular hydrogen bonding formed in polymer paracrystals

2021 Fiscal Year Final Research Report

• Project/Area Number: 19K05581
• Research Category: Grant-in-Aid for Scientific Research (C)
• Allocation Type: Multi-year Fund
• Section: 一般
• Review Section: Basic Section 35010:Polymer chemistry-related
• Research Institution: Kyoto Institute of Technology
• Principal Investigator: SASAKI SONO 京都工芸繊維大学, 繊維学系, 教授 (40304745)
• Project Period (FY): 2019-04-01 – 2022-03-31
• Keywords: 高分子結晶 / 電子密度分布マップ / 最大エントロピー法(MEM) / 放射光粉末X線回折データ / パラクリスタル格子乱れ

Outline of Final Research Achievements

In this study, powder X-ray diffraction data measured using high-brilliant X-rays of synchrotron radiation and the maximum entropy method (MEM) were used for an electron-density distribution analysis of the crystal structure of high-density polyethylene (HDPE), which is a typical example of linear polymers. Estimation of the electron-density distribution of the HDPE crystal structure and visualization of its electron-density map were successfully carried out. The details of the paracrystal lattice disordering were able to be discussed by quantifying the spread and bias of the electron density distribution of the elements constituting the main chain.

Free Research Field

高分子構造科学

Academic Significance and Societal Importance of the Research Achievements

本研究は、乱れを含む高分子の結晶構造の本質を電子スケールで明らかにすることに特徴がある。そのための実験・データ解析法を確立することを目的とした本研究の成果は、高分子固体構造科学に重要な知見となると確信している。