Fluids in nanospaces: molecular simulation studies to find out key mechanisms for engineering

Capillary condensation in mesoporous silica with surface roughness

(2013) Hideki Tanaka et al.   ADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY

Adsorption, intrusion and freezing in porous silica: the view from the nanoscale

(2013) Benoit Coasne et al.   CHEMICAL SOCIETY REVIEWS

Simulation study for adsorption-induced structural transition in stacked-layer porous coordination polymers: Equilibrium and hysteretic adsorption behaviors

(2013) Ryohei Numaguchi et al.   JOURNAL OF CHEMICAL PHYSICS

Determination of phase equilibria in confined systems by open pore cell Monte Carlo method

(2013) Minoru T. Miyahara et al.   JOURNAL OF CHEMICAL PHYSICS

2D-NLDFT adsorption models for carbon slit-shaped pores with surface energetical heterogeneity and geometrical corrugation

(2012) Jacek Jagiello et al.   CARBON

Adsorption-Induced Structural Transition of an Interpenetrated Porous Coordination Polymer: Detailed Exploration of Free Energy Profiles

(2012) Hayato Sugiyama et al.   LANGMUIR

Atomistic Model of Micelle-Templated Mesoporous Silicas: Structural, Morphological, and Adsorption Properties

(2012) Benoit Coasne et al.   LANGMUIR

Gas detection by structural variations of fluorescent guest molecules in a flexible porous coordination polymer

(2011) Nobuhiro Yanai et al.   NATURE MATERIALS

Enhanced selectivity of CO2 from a ternary gas mixture in an interdigitated porous framework

(2010) Keiji Nakagawa et al.   CHEMICAL COMMUNICATIONS

Effect of pore morphology on vapor–liquid phase transition and crossover behavior of critical properties from 3D to 2D

(2010) Sudhir K. Singh et al.   FLUID PHASE EQUILIBRIA

Molecular Modeling of Matter: Impact and Prospects in Engineering

(2010) Keith E. Gubbins et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Finite-size scaling study of the vapor-liquid critical properties of confined fluids: Crossover from three dimensions to two dimensions

(2010) Yang Liu et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular Simulation of Nitrogen Adsorption in Nanoporous Silica

(2010) B. Coasne et al.   LANGMUIR

The role of molecular modeling in confined systems: impact and prospects

(2010) Keith E. Gubbins et al.   PHYSICAL CHEMISTRY CHEMICAL PHYSICS

Quenched solid density functional theory and pore size analysis of micro-mesoporous carbons

(2009) Alexander V. Neimark et al.   CARBON

Free energy analysis for adsorption-induced lattice transition of flexible coordination framework

(2009) Satoshi Watanabe et al.   JOURNAL OF CHEMICAL PHYSICS

Vapor-liquid critical and interfacial properties of square-well fluids in slit pores

(2009) Subimal Jana et al.   JOURNAL OF CHEMICAL PHYSICS

Elastic layer-structured metal organic frameworks (ELMs)

(2009) Hirofumi Kanoh et al.   JOURNAL OF COLLOID AND INTERFACE SCIENCE

Soft porous crystals

(2009) Satoshi Horike et al.   Nature Chemistry

Molecular simulation of adsorption and intrusion in nanopores

(2008) Benoit Coasne et al.   ADSORPTION-JOURNAL OF THE INTERNATIONAL ADSORPTION SOCIETY

Argon Adsorption on MCM-41 Mesoporous Crystal Studied by In Situ Synchrotron Powder X-ray Diffraction

(2008) Norihiro Muroyama et al.   Journal of Physical Chemistry C

Thermodynamics of Guest-Induced Structural Transitions in Hybrid Organic−Inorganic Frameworks

(2008) François-Xavier Coudert et al.   JOURNAL OF THE AMERICAN CHEMICAL SOCIETY

Adsorption of Simple Fluid on Silica Surface and Nanopore: Effect of Surface Chemistry and Pore Shape

(2008) Benoit Coasne et al.   LANGMUIR