Dynamic mean field theory of condensation and evaporation processes for fluids in porous materials: Application to partial drying and drying

被引:24
作者
Edison, J. R. [1 ]
Monson, P. A. [1 ]
机构
[1] Univ Massachusetts, Dept Chem Engn, Amherst, MA 01003 USA
基金
美国国家科学基金会;
关键词
DENSITY-FUNCTIONAL THEORY; LATTICE-GAS MODEL; CAPILLARY EVAPORATION; MERCURY POROSIMETRY; MOLECULAR-DYNAMICS; MONTE-CARLO; ADSORPTION; NUCLEATION; PORES; HYSTERESIS;
D O I
10.1039/b925672e
中图分类号
O64 [物理化学(理论化学)、化学物理学];
学科分类号
070304 ; 081704 ;
摘要
We study the dynamics of evaporation for lattice gas models of fluids in porous materials using a recently developed dynamic mean field theory. The theory yields a description of the dynamics that is consistent with the mean field theory of the thermodynamics at equilibrium. The nucleation processes associated with phase changes in the pore are emergent features of the dynamics. Our focus is on situations where there is partial drying or drying in the system, associated with weakly attractive or repulsive interactions between the fluid and the pore walls. We consider two systems in this work: (i) a two-dimensional slit pore geometry relevant to the study of adsorption/desorption or intrusion/extrusion dynamics for fluids in porous materials and (ii) a three dimensional slit pore modeling a pair of square plates in a bath of liquid as used in recent theoretical studies of dewetting, processes between hydrophobic surfaces. We assess the theory by comparison with a higher order approximation to the dynamics that yields the Bethe-Peierls or quasi-chemical approximation at equilibrium.
引用
收藏
页码:167 / 184
页数:18
相关论文
共 44 条
[1]   Dynamical density functional theory for interacting Brownian particles: stochastic or deterministic? [J].
Archer, AJ ;
Rauscher, M .
JOURNAL OF PHYSICS A-MATHEMATICAL AND GENERAL, 2004, 37 (40) :9325-9333
[2]   Dynamical density functional theory and its application to spinodal decomposition [J].
Archer, AJ ;
Evans, R .
JOURNAL OF CHEMICAL PHYSICS, 2004, 121 (09) :4246-4254
[3]   Dewetting and Hydrophobic Interaction in Physical and Biological Systems [J].
Berne, Bruce J. ;
Weeks, John D. ;
Zhou, Ruhong .
ANNUAL REVIEW OF PHYSICAL CHEMISTRY, 2009, 60 :85-103
[4]   Role of nanoscopic liquid bridges in static friction [J].
Bock, H ;
Diestler, DJ ;
Schoen, M .
PHYSICAL REVIEW E, 2001, 64 (04) :9-461249
[5]   Thermodynamics of water intrusion in nanoporous hydrophobic solids [J].
Cailliez, Fabien ;
Trzpit, Mickael ;
Soulard, Michel ;
Demachy, Isabelle ;
Boutin, Anne ;
Patarin, Joel ;
Fuchs, Alain H. .
PHYSICAL CHEMISTRY CHEMICAL PHYSICS, 2008, 10 (32) :4817-4826
[6]   CAVITATION AND THE INTERACTION BETWEEN MACROSCOPIC HYDROPHOBIC SURFACES [J].
CHRISTENSON, HK ;
CLAESSON, PM .
SCIENCE, 1988, 239 (4838) :390-392
[7]   VERY LONG-RANGE ATTRACTIVE FORCES BETWEEN UNCHARGED HYDROCARBON AND FLUOROCARBON SURFACES IN WATER [J].
CLAESSON, PM ;
CHRISTENSON, HK .
JOURNAL OF PHYSICAL CHEMISTRY, 1988, 92 (06) :1650-1655
[8]   LATTICE-GAS MODEL OF MULTIPLE LAYER ADSORPTION [J].
DEOLIVEIRA, MJ ;
GRIFFITHS, RB .
SURFACE SCIENCE, 1978, 71 (03) :687-694
[9]   Adsorption of water vapor on a graphitized carbon black [J].
Easton, EB ;
Machin, WD .
JOURNAL OF COLLOID AND INTERFACE SCIENCE, 2000, 231 (01) :204-206