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Titolo: ATTRACTIVE DOUBLELAYER FORCES FROM HARDCORE CORRELATIONS
Autore: BOLHUIS PG; AKESSON T; JONSSON B;
 Indirizzi:
 CHEM CTR LUND,PHYS CHEM 2,POB 124 S22100 LUND SWEDEN
 Titolo Testata:
 The Journal of chemical physics
fascicolo: 10,
volume: 98,
anno: 1993,
pagine: 8096  8104
 SICI:
 00219606(1993)98:10<8096:ADFFHC>2.0.ZU;2E
 Fonte:
 ISI
 Lingua:
 ENG
 Soggetto:
 MONTECARLO SIMULATIONS; POISSONBOLTZMANN APPROXIMATION; ELECTRICAL DOUBLELAYER; ELECTROLYTESOLUTIONS; MICA SURFACES; DISTRIBUTIONS; STABILITY; HYDRATION; EQUATION; MODEL;
 Tipo documento:
 Article
 Natura:
 Periodico
 Settore Disciplinare:
 Science Citation Index Expanded
 Citazioni:
 30
 Recensione:
 Indirizzi per estratti:



 Citazione:
 P.G. Bolhuis et al., "ATTRACTIVE DOUBLELAYER FORCES FROM HARDCORE CORRELATIONS", The Journal of chemical physics, 98(10), 1993, pp. 80968104
Abstract
The osmotic pressure in an electric double layer is studied by means of Monte Carlo simulations. The net osmotic pressure is calculated as the difference between the internal and external pressures calculated at the same chemical potential. This can be obtained with sufficient accuracy using the Widom insertion particle technique in the canonical ensemble. The same technique can also be applied in the calculation ofdifferent pressure contributions. We find that the net osmotic pressure is always repulsive in a system with monovalent co and counterions, which is in agreement with the PoissonBoltzmann equation as well aswith previous simulation studies. In asymmetric salts, when the coionis multivalent we find that the external pressure exceeds the internal pressure resulting in a net attractive interaction. This attraction appears at high particle density or volume fraction in the double layer, for example, at short separations, high salt concentration, and/or high surface charge density. The origin of the attraction seems mainlyto be the hardcore interactions, which the ions experience in a dense double layer, which is manifested in a high chemical potential. The corresponding bulk solution at this chemical potential has a very highsalt concentration and hence also a high osmotic pressure.
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Documento generato il 25/11/20 alle ore 10:25:37