Monte Carlo Simulation on the Conformation of a PAA/PEO Comb Polymer Adsorbed on the Solid-liquid Interface

Chem. J. Chinese Universities ›› 2011, Vol. 32 ›› Issue (2): 395.

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Monte Carlo Simulation on the Conformation of a PAA/PEO Comb Polymer Adsorbed on the Solid-liquid Interface

HAN Zhao-Rang^1,2*, ZUO Lin¹, ZHU Jian-Min², ZHANG Shu-Fen², ZHANG Li-Jun¹

1. College of Chemistry, Jilin University, Changchun 130012, China;
2. Postdoctoral Mobile Research Station of Liaoning Oxiranchem, Dalian University of Technology, Liaoyang 111003, China

Received:2010-04-06 Revised:2010-07-01 Online:2010-02-10 Published:2011-02-23
Contact: HAN Zhao-Rang E-mail:hanzr@jlu.edu.cn

Abstract

Abstract: The conformation of PAA/PEO comb polymer adsorbed on the solid-liquid interface was investigated using Monte Carlo simulation method. The conformation images in the liquid and on the solid surface of various architecture polymer molecules were obtained. The microstructure information of various architecture polymer molecules, including the mean square radius of gyration, the thickness of adsorbed layer and the number of various segments adsorbed on solid surface were collected. The results showed: The diffusion coefficients in the liquid gradually reduced and the relative viscosity gradually rose with the polymer grafting number (Np) increasing; When Np≥6, the most carboxyl anion groups of comb polymer were placed outside of the adsorbed layer and the thickness of adsorbed layer approximated the length of the PEO side chains, the conformation of a comb polymer molecule on solid surface mainly played a steric barrier effect and secondly electrostatic repulsive; Meanwhile the polymer molecule should have suitable density of steric scattering and could keep self balance of adsorbing-desorbing.

Key words: Monte Carlo simulation, PAA/PEO, Comb polymer, Adsorption conformation, Solid-liquid interface

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HAN Zhao-Rang*, ZUO Lin, ZHU Jian-Min, ZHANG Shu-Fen, ZHANG Li-Jun. Monte Carlo Simulation on the Conformation of a PAA/PEO Comb Polymer Adsorbed on the Solid-liquid Interface[J]. Chem. J. Chinese Universities, 2011, 32(2): 395.

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Monte Carlo Simulation on the Conformation of a PAA/PEO Comb Polymer Adsorbed on the Solid-liquid Interface

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