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Adsorption‐Induced Structural Phase Transformation in Nanopores
Author(s) -
Kuchta Bogdan,
Dundar Ege,
Formalik Filip,
Llewellyn Philip L.,
Firlej Lucyna
Publication year - 2017
Publication title -
angewandte chemie international edition
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 5.831
H-Index - 550
eISSN - 1521-3773
pISSN - 1433-7851
DOI - 10.1002/anie.201708993
Subject(s) - adsorption , methane , transformation (genetics) , chemical physics , molecule , nanopore , materials science , monte carlo method , probability distribution , phase (matter) , molecular dynamics , thermodynamics , chemistry , computational chemistry , physics , nanotechnology , mathematics , organic chemistry , biochemistry , statistics , gene
We report a new type of structural transformation occurring in methane adsorbed in micropores. The observed methane structures are defined by probability distributions of molecular positions. The mechanism of the transformation has been modeled using Monte Carlo method. The transformation is totally determined by a reconstruction of the probability distribution functions of adsorbed molecules. The methane molecules have some freedom to move in the pore but most of the time they are confined to the positions around the high probability adsorption sites. The observed high‐probability structures evolve as a function of temperature and pressure. The transformation is strongly discontinuous at low temperature and becomes continuous at high temperature. The mechanism of the transformation is influenced by a competition between different components of the interaction and the thermal energy. The methane structure represents a new state of matter, intermediate between solid and liquid.