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首页> 外文期刊>Chinese Journal of Chemical Engineering >Adsorption of Diblock Copolymers from Non-selective Solvent: Comparison Between Scheutjens-Fleer Theory and Monte Carlo Simulation
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Adsorption of Diblock Copolymers from Non-selective Solvent: Comparison Between Scheutjens-Fleer Theory and Monte Carlo Simulation

机译:非选择性溶剂对二嵌段共聚物的吸附作用:Scheutjens-Fleer理论与Monte Carlo模拟的比较

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摘要

Systematic comparison between computer simulation results and those predicted by Scheutjens-Fleer (SF) self-consistent-field theory is presented for the adsorption of diblock copolymers from a non-selective solvent on attractive surface. It is shown that although SF is a mean-field theory, it can qualitatively describe the adsorption phenomena of diblock copolymers. However, systematic discrepancy between the theory and simulation still exists. The approximations inherited in the mean-field theory such as random mixing inside a layer and the allowance of direct back folding may be responsible to those deviations.
机译:系统地比较了计算机模拟结果与Scheutjens-Fleer(SF)自洽场理论所预测的结果,从而比较了非嵌段溶剂在有吸引力的表面上吸附二嵌段共聚物的情况。结果表明,尽管SF是一种平均场理论,但它可以定性地描述二嵌段共聚物的吸附现象。但是,理论和仿真之间仍然存在系统差异。平均场理论中继承的近似值,例如层内的随机混合以及直接向后折叠的余量,可能是造成这些偏差的原因。

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