Prediction of adsorption isotherms of n-aldehydes mixtures using density functional theory in combination with Peng-Robinson equation of state

Fluid Phase Equilibria ◽

10.1016/j.fluid.2016.04.006 ◽

2016 ◽

Vol 424 ◽

pp. 173-181 ◽

Author(s):

P. Zimmermann ◽

T. Goetsch ◽

T. Zeiner ◽

S. Enders

Keyword(s):

Density Functional Theory ◽

Equation Of State ◽

Adsorption Isotherms ◽

Density Functional ◽

Functional Theory ◽

Robinson Equation

Download Full-text

Interfacial tension of nonassociating pure substances and binary mixtures by density functional theory combined with Peng–Robinson equation of state

The Journal of Chemical Physics ◽

10.1063/1.3100237 ◽

2009 ◽

Vol 130 (15) ◽

pp. 154108 ◽

Author(s):

Zhidong Li ◽

Abbas Firoozabadi

Keyword(s):

Density Functional Theory ◽

Equation Of State ◽

Interfacial Tension ◽

Binary Mixtures ◽

Density Functional ◽

Functional Theory ◽

Pure Substances ◽

Robinson Equation

Download Full-text

High-Pressure Adsorption of Supercritical Gases on Activated Carbons: An Improved Approach Based on the Density Functional Theory and the Bender Equation of State

Langmuir ◽

10.1021/la030119w ◽

2003 ◽

Vol 19 (20) ◽

pp. 8349-8357 ◽

Author(s):

E. A. Ustinov ◽

D. D. Do

Keyword(s):

Density Functional Theory ◽

High Pressure ◽

Equation Of State ◽

Density Functional ◽

Activated Carbons ◽

Functional Theory ◽

The Density Functional Theory ◽

High Pressure Adsorption

Download Full-text

Verification of selected relationships for fractally porous solids by using adsorption isotherms calculated from density functional theory

Surface Science ◽

10.1016/0039-6028(95)00828-4 ◽

1995 ◽

Vol 342 (1-3) ◽

pp. L1127-L1130 ◽

Author(s):

Mietek Jaroniec ◽

Michal Kruk ◽

James Olivier

Keyword(s):

Density Functional Theory ◽

Adsorption Isotherms ◽

Density Functional ◽

Porous Solids ◽

Functional Theory

Download Full-text

Wide range equation of state for fluid hydrogen from density functional theory

Physics of Plasmas ◽

10.1063/1.4821839 ◽

2013 ◽

Vol 20 (9) ◽

pp. 092703 ◽

Author(s):

Cong Wang ◽

Ping Zhang

Keyword(s):

Density Functional Theory ◽

Equation Of State ◽

Density Functional ◽

Functional Theory ◽

Download Full-text

A simple scaling law for the equation of state and the radial distribution functions calculated by density-functional theory molecular dynamics

Physics of Plasmas ◽

10.1063/1.5026045 ◽

2018 ◽

Vol 25 (6) ◽

pp. 060702 ◽

Author(s):

J.-F. Danel ◽

L. Kazandjian

Keyword(s):

Molecular Dynamics ◽

Density Functional Theory ◽

Equation Of State ◽

Radial Distribution ◽

Density Functional ◽

Scaling Law ◽

Distribution Functions ◽

Radial Distribution Functions ◽

Functional Theory ◽

Download Full-text

Fractal Analysis of Composite Adsorption Isotherms Obtained by Using Density Functional Theory Data for Argon in Slitlike Pores†

Langmuir ◽

10.1021/la9505529 ◽

1997 ◽

Vol 13 (5) ◽

pp. 1031-1035 ◽

Author(s):

M. Jaroniec ◽

M. Kruk ◽

J. Olivier

Keyword(s):

Density Functional Theory ◽

Adsorption Isotherms ◽

Fractal Analysis ◽

Density Functional ◽

Functional Theory ◽

Density Functional Theory Data

Download Full-text

Density functional theory for the description of spherical non-associating monomers in confined media using the SAFT-VR equation of state and weighted density approximations

The Journal of Chemical Physics ◽

10.1063/1.4869996 ◽

2014 ◽

Vol 140 (13) ◽

pp. 134707 ◽

Author(s):

Carine Malheiro ◽

Bruno Mendiboure ◽

Frédéric Plantier ◽

Felipe J. Blas ◽

Christelle Miqueu

Keyword(s):

Density Functional Theory ◽

Equation Of State ◽

Density Functional ◽

Functional Theory ◽

Weighted Density ◽

Download Full-text

Self-consistent density functional theory and the equation of state for simple fluids

Molecular Physics ◽

10.1080/002689798167502 ◽

1998 ◽

Vol 94 (6) ◽

pp. 929-935 ◽

Author(s):

YAAKOV ROSENFELD

Keyword(s):

Density Functional Theory ◽

Equation Of State ◽

Density Functional ◽

Functional Theory ◽

Simple Fluids ◽

Self Consistent

Download Full-text

Prediction of Contact Angles and Density Profiles of Sessile Droplets Using Classical Density Functional Theory Based on the PCP-SAFT Equation of State

Langmuir ◽

10.1021/acs.langmuir.8b01985 ◽

2018 ◽

Vol 34 (42) ◽

pp. 12519-12531 ◽

Author(s):

Elmar Sauer ◽

Alexandros Terzis ◽

Marc Theiss ◽

Bernhard Weigand ◽

Joachim Gross

Keyword(s):

Density Functional Theory ◽

Equation Of State ◽

Density Functional ◽

Contact Angles ◽

Density Profiles ◽

Functional Theory

Download Full-text

Non-Additivity of Attractive Potentials in Modeling of N2 and Ar Adsorption Isotherms on Graphitized Carbon Black and Porous Carbon by Means of Density Functional Theory

Particle & Particle Systems Characterization ◽

10.1002/ppsc.200400924 ◽

2004 ◽

Vol 21 (2) ◽

pp. 161-169 ◽

Author(s):

Eugene A. Ustinov ◽

Duong D. Do

Keyword(s):

Density Functional Theory ◽

Carbon Black ◽

Adsorption Isotherms ◽

Porous Carbon ◽

Density Functional ◽

Graphitized Carbon Black ◽

Functional Theory ◽

Graphitized Carbon

Download Full-text