Isochoric heat capacity of confined fluids: The effect of pore width

Modeling confined fluids with the multicomponent potential theory of adsorption and the SAFT-VR Mie equation of state

(2021) Ahmed AlYazidi et al.   FLUID PHASE EQUILIBRIA

On the conversion of the confined ideal gas distribution between the canonical and the grand canonical ensembles

(2021) André F. Gonçalves et al.   FLUID PHASE EQUILIBRIA

A model to predict adsorption of mixtures coupled with SAFT-VR Mie Equation of state

(2019) Isa S. Araújo et al.   FLUID PHASE EQUILIBRIA

On the structure of a confined ideal gas: A statistical mechanical description with an external field

(2019) Luís Fernando Mercier Franco   FLUID PHASE EQUILIBRIA

Extension of the effective solid-fluid Steele potential for Mie force fields

(2019) Guadalupe Jiménez-Serratos et al.   MOLECULAR PHYSICS

Prediction of isochoric heat capacity: Discrete versus continuous potentials

(2019) Joyce T. Lopes et al.   FLUID PHASE EQUILIBRIA

Molecular Dynamics Simulation of n-Alkanes and CO2 Confined by Calcite Nanopores

(2018) Mirella S. Santos et al.   ENERGY & FUELS

Two-body perturbation theory versus first order perturbation theory: A comparison based on the square-well fluid

(2017) Luís Fernando Mercier Franco et al.   JOURNAL OF CHEMICAL PHYSICS

Statistical Mechanical Model for Adsorption Coupled with SAFT-VR Mie Equation of State

(2017) Luís F. M. Franco et al.   LANGMUIR

Perturbation theories of the thermodynamics of polar and associating liquids: A historical perspective

(2016) Keith E. Gubbins   FLUID PHASE EQUILIBRIA

Phase Equilibrium with External Fields: Application to Confined Fluids

(2016) Noura Dawass et al.   JOURNAL OF CHEMICAL AND ENGINEERING DATA

Anisotropic parallel self-diffusion coefficients near the calcite surface: A molecular dynamics study

(2016) Luís F. M. Franco et al.   JOURNAL OF CHEMICAL PHYSICS

Diffusion in Homogeneous and in Inhomogeneous Media: A New Unified Approach

(2016) Luís Fernando Mercier Franco et al.   Journal of Chemical Theory and Computation

Observation of extreme phase transition temperatures of water confined inside isolated carbon nanotubes

(2016) Kumar Varoon Agrawal et al.   Nature Nanotechnology

Examination of the phase transition behavior of nano-confined fluids by statistical temperature molecular dynamics

(2015) Lili Gai et al.   JOURNAL OF CHEMICAL PHYSICS

Force field comparison and thermodynamic property calculation of supercritical CO2 and CH4 using molecular dynamics simulations

(2014) Cassiano G. Aimoli et al.   FLUID PHASE EQUILIBRIA

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

(2014) Carine Malheiro et al.   JOURNAL OF CHEMICAL PHYSICS

Phase Behavior and Adsorption of Pure Substances and Mixtures and Characterization in Nanopore Structures by Density Functional Theory

(2014) Zhidong Li et al.   SPE JOURNAL

Potential Theory of Adsorption for Associating Mixtures: Possibilities and Limitations

(2013) Martin G. Bjørner et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Adsorption of Chain Molecules in Slit-Shaped Pores: Development of a SAFT-FMT-DFT Approach

(2013) Bryan J. Schindler et al.   Journal of Physical Chemistry C

Shear viscosity of inhomogeneous fluids

(2012) Hai Hoang et al.   JOURNAL OF CHEMICAL PHYSICS

Fragile-Strong Fluid Crossover and Universal Relaxation Times in a Confined Hard-Disk Fluid

(2012) Mahdi Zaeifi Yamchi et al.   PHYSICAL REVIEW LETTERS

Thermodynamic modeling of confined fluids using an extension of the generalized van der Waals theory

(2010) Leonardo Travalloni et al.   CHEMICAL ENGINEERING SCIENCE

AniSAFT Density Functional Theory for Associating Polyatomic Molecules

(2010) Adam Bymaster et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Predicting adsorption isotherms of asphaltenes in porous materials

(2009) Martín Castro et al.   FLUID PHASE EQUILIBRIA

Study of high-pressure adsorption from supercritical fluids by the potential theory

(2009) Matias A. Monsalvo et al.   FLUID PHASE EQUILIBRIA

Molecular Simulations of Zeolites: Adsorption, Diffusion, and Shape Selectivity

(2008) Berend Smit et al.   CHEMICAL REVIEWS

Simulation studies of methane, carbon dioxide, hydrogen and deuterium in ITQ-1 and NaX zeolites

(2008) George K. Papadopoulos et al.   MOLECULAR SIMULATION