期刊
LANGMUIR
卷 36, 期 40, 页码 11918-11928出版社
AMER CHEMICAL SOC
DOI: 10.1021/acs.langmuir.0c02000
关键词
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资金
- American Chemical Society Petroleum Research Fund [60868-ND9]
- National Science Foundation [DGE-1326120]
Colloidal particles are mostly charged in an aqueous solution because of the protonation or deprotonation of ionizable groups on the surface. The surface charge density reflects a complex interplay of ion distributions within the electric double layer and the surface reaction equilibrium. In this work, we present a coarse-grained model to describe the charge regulation of various colloidal systems by an explicit consideration of the inhomogeneous ion distributions and surface reactions. With the primitive model for aqueous solutions and equilibrium constants for surface reactions as the inputs, the theoretical model is able to make quantitative predictions of the surface-charge densities and zeta potentials for diverse colloidal particles over a wide range of pH and ionic conditions. By accounting for the ionic size effects and electrostatic correlations, our model is applicable to systems with multivalent ions that exhibit charge inversion and provides a faithful description of the interfacial properties without evoking the empirical Stern capacitance or specific ion adsorptions.
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