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arXiv 1310.7516cond-mat.soft
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带电胶体悬浮液中体相化学与表面化学的耦合

Coupling between bulk- and surface chemistry in suspensions of charged colloids

Marco Heinen, Thomas Palberg, Hartmut Löwen

摘要:

在原始模型中计算了实际无盐带电胶体球悬浮液的液相中的离子组成和离子对关联。我们得到的所有离子种类的数密度悬浮液中,包括低分子量的微离子,和胶体macroions与酸性表面基团,从一个自洽的解决方案耦合的物理化学的非线性代数方程组和非平均场液体积分方程。在这里,我们研究悬浮液的胶体球与磺酸盐或硅烷醇表面基团,悬浮在软化水是饱和的二氧化碳标准大气下。我们的理论方案所需的唯一输入是酸解离常数pKa和所有参与离子的有效球直径。我们的方法允许从头计算胶体裸和有效电荷,在高数值效率。

英文摘要:

The ionic composition and pair correlations in fluid phases of realistically salt-free charged colloidal sphere suspensions are calculated in the primitive model. We obtain the number densities of all ionic species in suspension, including low-molecular weight microions, and colloidal macroions with acidic surface groups, from a self-consistent solution of a coupled physicochemical set of nonlinear algebraic equations and non-mean-field liquid integral equations. Here, we study suspensions of colloidal spheres with sulfonate or silanol surface groups, suspended in demineralized water that is saturated with carbon dioxide under standard atmosphere. The only input required for our theoretical scheme are the acidic dissociation constants pKa, and effective sphere diameters of all involved ions. Our method allows for an ab initio calculation of colloidal bare and effective charges, at high numerical efficiency.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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