Standard

Numerical experiment calculations of solvent contributions to the work of solvation of ions. / Brodskaya, E. N.; Rusanov, A. I.

In: Russian Journal of Physical Chemistry A, Vol. 73, No. 8, 08.1999, p. 1229-1234.

Research output: Contribution to journal › Article › peer-review

Harvard

Brodskaya, EN & Rusanov, AI 1999, 'Numerical experiment calculations of solvent contributions to the work of solvation of ions', Russian Journal of Physical Chemistry A, vol. 73, no. 8, pp. 1229-1234.

APA

Brodskaya, E. N., & Rusanov, A. I. (1999). Numerical experiment calculations of solvent contributions to the work of solvation of ions. Russian Journal of Physical Chemistry A, 73(8), 1229-1234.

Vancouver

Brodskaya EN, Rusanov AI. Numerical experiment calculations of solvent contributions to the work of solvation of ions. Russian Journal of Physical Chemistry A. 1999 Aug;73(8):1229-1234.

Author

Brodskaya, E. N. ; Rusanov, A. I. / Numerical experiment calculations of solvent contributions to the work of solvation of ions. In: Russian Journal of Physical Chemistry A. 1999 ; Vol. 73, No. 8. pp. 1229-1234.

BibTeX

@article{5a4f26a0feb04bb094b6c976d033ace5,
title = "Numerical experiment calculations of solvent contributions to the work of solvation of ions",
abstract = "Water clusters that condense on ions with different charges were simulated by molecular dynamics techniques. Local density, electric potential, polarization vector, and normal pressure profiles were calculated. The work of cluster formation and surface potentials at vacuum-liquid and solid nucleus-liquid interfaces were estimated. The contribution to the chemical work of solvation linear with respect to ionic charge was determined. For the K+ ion in water, the contribution linear in charge to the total work of solvation was shown to be virtually zero.",
author = "Brodskaya, {E. N.} and Rusanov, {A. I.}",
year = "1999",
month = aug,
language = "English",
volume = "73",
pages = "1229--1234",
journal = "Russian Journal of Physical Chemistry A",
issn = "0036-0244",
publisher = "МАИК {"}Наука/Интерпериодика{"}",
number = "8",

}

RIS

TY - JOUR

T1 - Numerical experiment calculations of solvent contributions to the work of solvation of ions

AU - Brodskaya, E. N.

AU - Rusanov, A. I.

PY - 1999/8

Y1 - 1999/8

N2 - Water clusters that condense on ions with different charges were simulated by molecular dynamics techniques. Local density, electric potential, polarization vector, and normal pressure profiles were calculated. The work of cluster formation and surface potentials at vacuum-liquid and solid nucleus-liquid interfaces were estimated. The contribution to the chemical work of solvation linear with respect to ionic charge was determined. For the K+ ion in water, the contribution linear in charge to the total work of solvation was shown to be virtually zero.

AB - Water clusters that condense on ions with different charges were simulated by molecular dynamics techniques. Local density, electric potential, polarization vector, and normal pressure profiles were calculated. The work of cluster formation and surface potentials at vacuum-liquid and solid nucleus-liquid interfaces were estimated. The contribution to the chemical work of solvation linear with respect to ionic charge was determined. For the K+ ion in water, the contribution linear in charge to the total work of solvation was shown to be virtually zero.

UR - http://www.scopus.com/inward/record.url?scp=0033243206&partnerID=8YFLogxK

M3 - Article

AN - SCOPUS:0033243206

VL - 73

SP - 1229

EP - 1234

JO - Russian Journal of Physical Chemistry A

JF - Russian Journal of Physical Chemistry A

SN - 0036-0244

IS - 8

ER -

ID: 95718841