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A Study of HCl Gas Adsorption/Desorption Properties of PNIPAM Brushes
Author(s) -
Zhao Xin Jun,
Gao Zhi Fu,
Jiang Zhong Ying
Publication year - 2015
Publication title -
macromolecular theory and simulations
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.37
H-Index - 56
eISSN - 1521-3919
pISSN - 1022-1344
DOI - 10.1002/mats.201500027
Subject(s) - desorption , adsorption , hydrogen bond , chemical engineering , chemistry , hydrogen , polymer chemistry , molecule , materials science , organic chemistry , engineering
In this paper, we employ a molecular theory to study HCl gas‐adsorption/desorption properties of PNIPAM brushes. Here, PNIPAM–HCl hydrogen bonds and theirs explicit coupling to the PNIPAM conformations are considered. We find that hydrogen bonding becomes a key element in determining HCl gas‐adsorption/desorption behaviors of PNIPAM brushes. Our results indicate that, when at moderate grafting densities, the association of PNIPAM–HCl hydrogen bonds can result in a dependence of PNIPAM brush‐height on HCl concentration, and the morphology of PNIPAM brushes may have a significant effect on the HCl gas‐adsorption/desorption properties.