Potential of mean force between ions in infinitely diluted simple short-range models of aqueous electrolytes

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F44555601%3A13440%2F05%3A00004832" target="_blank" >RIV/44555601:13440/05:00004832 - isvavai.cz</a>

Výsledek na webu

—

DOI - Digital Object Identifier

—

Jazyk výsledku

angličtina

Název v původním jazyce

Potential of mean force between ions in infinitely diluted simple short-range models of aqueous electrolytes

Popis výsledku v původním jazyce

As an attempt to assess the effect of the long-range electrostatic interactions in solutions of electrolytes, a simple short-range model (SSM) of electrolytes made up of primitive water and primitive ions (i.e., ions whose Coulombic interaction with water has been replaced by a triangular-well interaction) has been considered to compute the potential of mean force. The sizes of the primitive ions have been set so as to approximate realistic NaCl, Lil, and CsCl electrolytes. It is shown that despite themissing long-range Coulombic interaction the model captures the basic features of real electrolytes while the indirect, i.e. water mediated, potential of mean force in the SSM is in qualitative agreement with that of realistic models.

Název v anglickém jazyce

Potential of mean force between ions in infinitely diluted simple short-range models of aqueous electrolytes

Popis výsledku anglicky

As an attempt to assess the effect of the long-range electrostatic interactions in solutions of electrolytes, a simple short-range model (SSM) of electrolytes made up of primitive water and primitive ions (i.e., ions whose Coulombic interaction with water has been replaced by a triangular-well interaction) has been considered to compute the potential of mean force. The sizes of the primitive ions have been set so as to approximate realistic NaCl, Lil, and CsCl electrolytes. It is shown that despite themissing long-range Coulombic interaction the model captures the basic features of real electrolytes while the indirect, i.e. water mediated, potential of mean force in the SSM is in qualitative agreement with that of realistic models.

Druh

J_x - Nezařazeno - Článek v odborném periodiku (Jimp, Jsc a Jost)

CEP obor

BL - Fyzika plasmatu a výboje v plynech

OECD FORD obor

—

Projekt

—

Návaznosti

S - Specificky vyzkum na vysokych skolach

Rok uplatnění

2005

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

Condensed Matter Physics

ISSN

1607-324X

e-ISSN

—

Svazek periodika

8

Číslo periodika v rámci svazku

2

Stát vydavatele periodika

UA - Ukrajina

Počet stran výsledku

10

Strana od-do

—

Kód UT WoS článku

000231713000005

EID výsledku v databázi Scopus

—