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The Inhibition of Sodium Carboxymethyl Cellulose on Calcite Growth by Molecular Dynamics Simulation
Author(s) -
Zhao Yu,
Xu Zhiming,
Wang Bingbing,
Wang Jingtao
Publication year - 2019
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.201970009
Subject(s) - calcite , carboxymethyl cellulose , molecular dynamics , chemistry , molecule , chemical physics , chemical engineering , sodium , computational chemistry , mineralogy , organic chemistry , engineering
Front Cover : Molecular dynamics simulation is used to reveal the antifouling mechanism between SCMC and calcite surface. The configuration, radial distribution function, interaction energy between SCMC and calcite surface, and ability of SCMC to replace water molecules are analyzed. The interaction between SCMC and calcite surface increases with the increase of SCMC concentrations. This is reported by Yu Zhao, Zhiming Xu, Bingbing Wang, and Jingtao Wang in article 1900019.