Development of rational method for determining atomic surface roughness and integrated characterization method of nanopores

2014 Fiscal Year Final Research Report

• Project/Area Number: 24360318
• Research Category: Grant-in-Aid for Scientific Research (B)
• Allocation Type: Partial Multi-year Fund
• Section: 一般
• Research Field: Properties in chemical engineering process/Transfer operation/Unit operation
• Research Institution: Kyoto University
• Principal Investigator: MIYAHARA Minoru 京都大学, 工学(系)研究科(研究院), 教授 (60200200)
• Co-Investigator(Kenkyū-buntansha): TANAKA Hideki 京都大学, 工学研究科, 講師 (80376368)
• Project Period (FY): 2012-04-01 – 2015-03-31
• Keywords: 吸着 / 細孔壁原子密度分布 / 分子シミュレーション / 極低温He物理吸着TPD

Outline of Final Research Achievements

We have aimed the development of integrated characterization method of nanopores by a combined study using a cryogenic temperature-programmed desorption (TPD) measurement of physisorbed He and molecular simulation. The measurement of TPD curve of weakly physisorbed He on porous solids was achieved by lowering the system temperature to 4 K so that the solid-He interaction potential became larger than the thermal energy of He atom. We have succeeded in reproducing adsorption behavior of mesoporous silicas (MCM-41 and SBA-15) by the molecular simulation using atomistic silica pore model with appropriate surface roughness, which was determined from the small angle X-ray scattering measurement. Moreover, by comparing adsorption energy distribution of the atomistic silica pore model and the experimental result from the cryogenic TPD measurement of physisorbed He, we have provided a guideline for developing of the rational method for determining the surface roughness.

Free Research Field

吸着工学