Theory of Charge Regulation of Colloidal Particles in Electrolyte Solutions

被引:19
作者
Bakhshandeh, Amin [1 ]
Frydel, Derek [2 ]
Levin, Yan [1 ]
机构
[1] Univ Fed Rio Grande do Sul, Inst Fis, BR-91501970 Porto Alegre, RS, Brazil
[2] Univ Tecn Federico Santa Maria, Dept Chem, Santiago 7820275, Chile
关键词
ELECTRICAL DOUBLE-LAYER; ADSORPTION; SURFACE; MODEL; (HYDR)OXIDES; AGGREGATION; SIMULATIONS; TITRATION; PRESSURE; FORCES;
D O I
10.1021/acs.langmuir.2c02313
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
We present a theory that enables us to (i) calculate the effective surface charge of colloidal particles and (ii) efficiently obtain titration curves for different salt concentrations. The theory accounts for the shift of pH of solution due to the presence of 1:1 electrolyte. It also accounts self-consistently for the electrostatic potential produced by the deprotonated surface groups. To examine the accuracy of the theory, we have performed extensive reactive Monte Carlo simulations, which show excellent agreement between theory and simulations without any adjustable parameters.
引用
收藏
页码:13963 / 13971
页数:9
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