Counting metastable states within the adsorption/desorption hysteresis loop: A molecular simulation study of confinement in heterogeneous pores

The Journal of Chemical Physics ◽

10.1063/1.3483790 ◽

2010 ◽

Vol 133 (10) ◽

pp. 104701 ◽

Author(s):

Joël Puibasset

Keyword(s):

Hysteresis Loop ◽

Molecular Simulation ◽

Simulation Study ◽

Metastable States ◽

Desorption Hysteresis ◽

Adsorption Desorption

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Fluid adsorption in linear pores: a molecular simulation study of the influence of heterogeneities on the hysteresis loop and the distribution of metastable states

Molecular Simulation ◽

10.1080/08927022.2013.829221 ◽

2014 ◽

Vol 40 (7-9) ◽

pp. 690-697 ◽

Author(s):

Joël Puibasset

Keyword(s):

Hysteresis Loop ◽

Molecular Simulation ◽

Simulation Study ◽

Metastable States

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Water confined in mesoporous silica glasses: Influence of temperature on adsorption/desorption hysteresis loop and fluid structure

The European Physical Journal Special Topics ◽

10.1140/epjst/e2007-00013-3 ◽

2007 ◽

Vol 141 (1) ◽

pp. 41-44 ◽

Author(s):

J. Puibasset ◽

R.J.-M. Pellenq

Keyword(s):

Mesoporous Silica ◽

Hysteresis Loop ◽

Fluid Structure ◽

Influence Of Temperature ◽

Silica Glasses ◽

Influence Of Temperature On ◽

Desorption Hysteresis ◽

Adsorption Desorption

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Monte-Carlo Multiscale Simulation Study of Argon Adsorption/Desorption Hysteresis in Mesoporous Heterogeneous Tubular Pores like MCM-41 or Oxidized Porous Silicon

Langmuir ◽

10.1021/la802474c ◽

2009 ◽

Vol 25 (2) ◽

pp. 903-911 ◽

Author(s):

Joël Puibasset

Keyword(s):

Monte Carlo ◽

Porous Silicon ◽

Simulation Study ◽

Multiscale Simulation ◽

Desorption Hysteresis ◽

Oxidized Porous Silicon ◽

Argon Adsorption ◽

Adsorption Desorption ◽

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Influence of surface chemical heterogeneities on adsorption/desorption hysteresis and coexistence diagram of metastable states within cylindrical pores

The Journal of Chemical Physics ◽

10.1063/1.2229193 ◽

2006 ◽

Vol 125 (7) ◽

pp. 074707 ◽

Author(s):

Joël Puibasset

Keyword(s):

Metastable States ◽

Surface Chemical ◽

Cylindrical Pores ◽

Desorption Hysteresis ◽

Adsorption Desorption

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Adsorption/Desorption Hysteresis in Inkbottle Pores: A Density Functional Theory and Monte Carlo Simulation Study

Langmuir ◽

10.1021/la036100a ◽

2004 ◽

Vol 20 (10) ◽

pp. 4289-4294 ◽

Author(s):

B. Libby ◽

P. A. Monson

Keyword(s):

Density Functional Theory ◽

Monte Carlo Simulation ◽

Monte Carlo ◽

Simulation Study ◽

Density Functional ◽

Monte Carlo Simulation Study ◽

Functional Theory ◽

Desorption Hysteresis ◽

Adsorption Desorption

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A molecular simulation study of adsorption and desorption in closed end slit pores: Is there a hysteresis loop?

Chemical Engineering Science ◽

10.1016/j.ces.2014.08.018 ◽

2015 ◽

Vol 121 ◽

pp. 313-321 ◽

Author(s):

Chunyan Fan ◽

Yonghong Zeng ◽

D.D. Do ◽

D. Nicholson

Keyword(s):

Hysteresis Loop ◽

Molecular Simulation ◽

Simulation Study ◽

Adsorption And Desorption ◽

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Importance of pore length and geometry in the adsorption/desorption process: a molecular simulation study

Molecular Physics ◽

10.1080/00268976.2015.1070927 ◽

2015 ◽

Vol 113 (23) ◽

pp. 3849-3853 ◽

Author(s):

M.A. Balderas Altamirano ◽

S. Cordero ◽

R. López-Esparza ◽

E. Pérez ◽

A. Gama Goicochea

Keyword(s):

Molecular Simulation ◽

Simulation Study ◽

Desorption Process ◽

Pore Length ◽

Adsorption Desorption

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Molecular Simulation Study of Separation of CO2 from Alkanes Using Metal-Organic Frameworks

The Journal of Physical Chemistry B ◽

10.1021/jp064376w ◽

2006 ◽

Vol 0 (0) ◽

pp. 0-0

Author(s):

S. Wang ◽

Q. Yang ◽

C. Zhong

Keyword(s):

Molecular Simulation ◽

Simulation Study ◽

Metal Organic Frameworks ◽

Metal Organic ◽

Separation Of Co2

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Faculty Opinions recommendation of Reconciling the "old" and "new" views of protein allostery: a molecular simulation study of chemotaxis Y protein (CheY).

Faculty Opinions – Post-Publication Peer Review of the Biomedical Literature ◽

10.3410/f.1014443.371913 ◽

2006 ◽

Author(s):

George Ordal

Keyword(s):

Molecular Simulation ◽

Simulation Study ◽

Protein Allostery

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Molecular simulation study of the curling behavior of the finite free-standing kaolinte layer

Computational Materials Science ◽

10.1016/j.commatsci.2020.110037 ◽

2021 ◽

Vol 186 ◽

pp. 110037

Author(s):

Zoltán Ható ◽

Jadran Vrabec ◽

Tamás Kristóf

Keyword(s):

Molecular Simulation ◽

Simulation Study ◽

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