Influence of Intermolecular Forces at Critical-point Wedge Filling.

Kód výsledku v IS VaVaI

RIV/67985858:_____/16:00466369 - isvavai.cz

Nalezeny alternativní kódy

RIV/60461373:22340/16:43903048

Výsledek na webu

http://dx.doi.org/10.1103/PhysRevE.93.040801

DOI - Digital Object Identifier

10.1103/PhysRevE.93.040801

Jazyk výsledku

angličtina

Název v původním jazyce

Influence of Intermolecular Forces at Critical-point Wedge Filling.

Popis výsledku v původním jazyce

We usemicroscopic density functional theory to study filling transitions in systems with long-ranged wall-fluid and short-ranged fluid-fluid forces occurring in a right-angle wedge. By changing the strength of the wall-fluid interaction we can induce both wetting and filling transitions over a wide range of temperatures and study the order of these transitions. At low temperatures we find that both wetting and filling transitions are first order in keeping with predictions of simple local effective Hamiltonian models. However close to the bulk critical point the filling transition is observed to be continuous even though the wetting transition remains first order and the wetting binding potential still exhibits a small activation barrier. The critical singularities for adsorption for the continuous filling transitions depend on whether retarded or nonretarded wall-fluid forces are present and are in excellent agreement with predictions of effective Hamiltonian theory even though the change in the order of the transition was not anticipated.

Název v anglickém jazyce

Influence of Intermolecular Forces at Critical-point Wedge Filling.

Popis výsledku anglicky

We usemicroscopic density functional theory to study filling transitions in systems with long-ranged wall-fluid and short-ranged fluid-fluid forces occurring in a right-angle wedge. By changing the strength of the wall-fluid interaction we can induce both wetting and filling transitions over a wide range of temperatures and study the order of these transitions. At low temperatures we find that both wetting and filling transitions are first order in keeping with predictions of simple local effective Hamiltonian models. However close to the bulk critical point the filling transition is observed to be continuous even though the wetting transition remains first order and the wetting binding potential still exhibits a small activation barrier. The critical singularities for adsorption for the continuous filling transitions depend on whether retarded or nonretarded wall-fluid forces are present and are in excellent agreement with predictions of effective Hamiltonian theory even though the change in the order of the transition was not anticipated.

Druh

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

CEP obor

CF - Fyzikální chemie a teoretická chemie

OECD FORD obor

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Projekt

GA16-12291S: Hierarchický přístup ke studiu rovnováhy mezi pevnou a kapalnou fází v komplexních systémech: teorie, simulace a experiment

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2016

Kód důvěrnosti údajů

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

Název periodika

Physical Review E

ISSN

2470-0045

e-ISSN

—

Svazek periodika

93

Číslo periodika v rámci svazku

4

Stát vydavatele periodika

US - Spojené státy americké

Počet stran výsledku

5

Strana od-do

—

Kód UT WoS článku

000374553500001

EID výsledku v databázi Scopus

2-s2.0-84964490295