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

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Hydrogen supersaturated layers in H/D plasma-loaded tungsten: A global model based on thermodynamics, kinetics and density functional theory data

Physical Review Materials ◽

10.1103/physrevmaterials.2.093802 ◽

2018 ◽

Vol 2 (9) ◽

Author(s):

E. A. Hodille ◽

N. Fernandez ◽

Z. A. Piazza ◽

M. Ajmalghan ◽

Y. Ferro

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Global Model ◽

Functional Theory ◽

Model Based ◽

Density Functional Theory Data

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On the development of continuum material models for 2D materials from Density Functional Theory data

PAMM ◽

10.1002/pamm.201900486 ◽

2019 ◽

Vol 19 (1) ◽

Author(s):

Farzad Shirazian ◽

Ming Hu ◽

Roger A. Sauer

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

2D Materials ◽

Functional Theory ◽

Material Models ◽

Density Functional Theory Data

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(5656)Macrotetracyclic chelates of doubly charged 3d-element ions with 1,4,8,11-tetraazacyclotetradecane-2,3,9,10-tetrathione and their molecular structures according to density functional theory data

Russian Journal of Inorganic Chemistry ◽

10.1134/s0036023614110138 ◽

2014 ◽

Vol 59 (11) ◽

pp. 1276-1282 ◽

Author(s):

O. V. Mikhailov ◽

D. V. Chachkov

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Molecular Structures ◽

Functional Theory ◽

Doubly Charged ◽

Density Functional Theory Data

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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

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Benchmarking FeCr empirical potentials against density functional theory data

Modelling and Simulation in Materials Science and Engineering ◽

10.1088/0965-0393/18/7/075004 ◽

2010 ◽

Vol 18 (7) ◽

pp. 075004 ◽

Author(s):

T P C Klaver ◽

G Bonny ◽

P Olsson ◽

D Terentyev

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Functional Theory ◽

Empirical Potentials ◽

Density Functional Theory Data

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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

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Study of structural and thermodynamic parameters of adsorption layers using density functional theory. Local density and adsorption isotherms on spherical surfaces

Colloid Journal ◽

10.1134/s1061933x13040194 ◽

2013 ◽

Vol 75 (5) ◽

pp. 524-531 ◽

Author(s):

V. V. Zubkov ◽

V. M. Samsonov ◽

I. V. Grinev

Keyword(s):

Density Functional Theory ◽

Thermodynamic Parameters ◽

Adsorption Isotherms ◽

Density Functional ◽

Local Density ◽

Functional Theory ◽

Spherical Surfaces ◽

Adsorption Layers

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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

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Energy of hydrogen dissolution in FCC hydrides of disordered Ti–V–Cr alloys according to density functional theory data

Physics of the Solid State ◽

10.1134/s1063783417100043 ◽

2017 ◽

Vol 59 (10) ◽

pp. 1895-1899 ◽

Author(s):

O. O. Bavrina ◽

M. G. Shelyapina

Keyword(s):

Density Functional Theory ◽

Density Functional ◽

Functional Theory ◽

Density Functional Theory Data ◽

Hydrogen Dissolution

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Modelling of adsorption isotherms of isomers using density functional theory

Molecular Physics ◽

10.1080/00268976.2017.1298861 ◽

2017 ◽

Vol 115 (9-12) ◽

pp. 1389-1407 ◽

Author(s):

Patrick Zimmermann ◽

Thomas Goetsch ◽

Tim Zeiner ◽

Sabine Enders

Keyword(s):

Density Functional Theory ◽

Adsorption Isotherms ◽

Density Functional ◽

Functional Theory

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