探讨了粗粒化Monte Carlo模拟技巧,确定了分子链段间以及与溶剂水的相互作用能.经模拟数据分析发现,绝大多数负离子被约束在CaCO3粒子表面,形成特征的双电层;在溶液体系中,胶体的德拜长度(Dc)是变化的,在稳态下其德拜长度(De)大于双电层厚度;丙烯酸/烯丙基聚氧乙烯(PAA/PEO)梳形聚合物接枝度越大其链段越集中于CaCO3粒子周围,对CaCO3粒子的包覆性越好.
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