Comparison of molecular dynamics simulations with triple layer and modified Gouy-Chapman models in a 0.1 M NaCl-montmorillonite system

Journal of Colloid and Interface Science

Volumn 339, Issue 2, 2009, Pages 533-541

  Tournassat, Christophe ^a   Chapron, Yves ^b   Leroy, Philippe ^a   Bizi, Mohamed ^a   Boulahya, Faïza ^a  

^a BRGM   (France)

^b AIED ^*  (France)

Author keywords

Basic Stern model; Cation exchange; Clay; Diffusion; Gouy Chapman; Molecular dynamics; Triple layer model

Indexed keywords

ANION EXCLUSION; BASIC STERN; BASIC STERN MODEL; CAPACITANCE VALUES; CATION EXCHANGE; CLAY BASAL; DIFFUSE LAYERS; EXPERIMENTAL CONDITIONS; GOUY-CHAPMAN; MACROSCOPIC MODEL; MD SIMULATION; MINERAL SURFACES; MODIFIED GOUY-CHAPMAN; MOLECULAR DYNAMICS SIMULATIONS; NA CONCENTRATION; NACL CONCENTRATION; PORE SCALE; TRIPLE LAYER MODEL; TRIPLE LAYER MODELS; WATER DISTRIBUTIONS; ZETA POTENTIAL MEASUREMENTS;

CLAY MINERALS; DYNAMICS; EQUILIBRIUM CONSTANTS; GEOLOGIC MODELS; MOLECULAR DYNAMICS; POSITIVE IONS; SILICATE MINERALS; SODIUM CHLORIDE; SORPTION; WATER DISTRIBUTION SYSTEMS; WATER SUPPLY; ZETA POTENTIAL;

SIMULATORS;

ANION; CATION; MONTMORILLONITE; SODIUM CHLORIDE; WATER;

ARTICLE; CATION EXCHANGE; CHEMICAL MODEL; CONTROLLED STUDY; DIFFUSION; GEOMETRY; MOLECULAR DYNAMICS; PRIORITY JOURNAL; SIMULATION; THEORY; ZETA POTENTIAL;

EID: 70349470977     PISSN: 00219797     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jcis.2009.06.051     Document Type: Article

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