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Modeling Structural Morphology of Microporous Carbons by Reverse Monte Carlo
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Outgoing claims: the papers this work cites, builds on, or argues with.
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Density functional study of the chemisorption of O2 on the armchair surface of graphite
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Ideal adsorbed solution theory, two-dimensional equation of state, and molecular simulation for separation of H2/N2/O2/CH4/CO in graphite nanofiber and C60 intercalated graphite
inferred← citeshttps://doi.org/10.1016/j.seppur.2024.126538openalex-snapshot
Impact of realistic vs. Slit models of activated carbon on H2 and H2S Adsorption, and H2/CO2, CH4/H2S separation
inferred← citeshttps://doi.org/10.1016/j.seppur.2024.127943openalex-snapshot
Molecular simulation of adsorption and separation of N2 and CF4 on carbon and boron nitride nanostructures
inferred← citeshttps://doi.org/10.1016/j.tsf.2014.03.040openalex-snapshot
Structural characterization of amorphous materials applied to low-k organosilicate materials
inferred← citeshttps://doi.org/10.1016/s0008-6223(01)00115-4openalex-snapshot
The comparison of experimental and calculated pore size distributions of activated carbons
inferred← citeshttps://doi.org/10.1016/s0008-6223(01)00181-6openalex-snapshot
Contribution of the edge effect to physical adsorption in micropores of activated carbons
inferred← citeshttps://doi.org/10.1016/s0008-6223(01)00232-9openalex-snapshot
Micropore structure of activated carbons and predictions of adsorption equilibrium
inferred← citeshttps://doi.org/10.1016/s0008-6223(03)00015-0openalex-snapshot
Phenol adsorption on porous and non-porous carbons
inferred← citeshttps://doi.org/10.1016/s0065-2377(01)28007-7openalex-snapshot
Characterization of porous materials using molecular theory and simulation
inferred← citeshttps://doi.org/10.1016/s0065-2377(05)30003-2openalex-snapshot
Modeling of Transport and Transformation Processes in Porous and Multiphase Bodies
inferred← citeshttps://doi.org/10.1016/s0167-2991(01)82174-1openalex-snapshot
Improved Molecular Models for Porous Carbons
inferred← citeshttps://doi.org/10.1016/s0167-2991(02)80215-4openalex-snapshot
Reconstruction Method for the Characterization of Porous Carbons
inferred← citeshttps://doi.org/10.1016/s0167-2991(02)80229-4openalex-snapshot
Characterisation of the Surface Chemistry of Activated Carbon by Molecular Simulation of Water Adsorption
inferred← citeshttps://doi.org/10.1016/s0169-4332(02)00039-9openalex-snapshot
Realistic molecular models for saccharose-based carbons
inferred← citeshttps://doi.org/10.1016/s0378-4371(02)01209-8openalex-snapshot
Reverse Monte Carlo simulation of the microscopic structure for chemically associating fluids by using experimental data
inferred← citeshttps://doi.org/10.1016/s0927-7757(01)00644-6openalex-snapshot
Water in porous carbons
inferred← citeshttps://doi.org/10.1016/s1380-7323(06)80007-5openalex-snapshot
Chapter 5 Structural characterization of nano- and mesoporous materials by molecular simulations
inferred← citeshttps://doi.org/10.1016/s1380-7323(06)80012-9openalex-snapshot
Chapter 10 Nano-confined water
inferred← citeshttps://doi.org/10.1021/acs.chemrev.7b00691openalex-snapshot
Modeling Amorphous Microporous Polymers for CO2Capture and Separations
inferred← citeshttps://doi.org/10.1021/acs.energyfuels.1c01889openalex-snapshot
Leaching Char with Acidic Aqueous Phase from Biomass Pyrolysis: Removal of Alkali and Alkaline-Earth Metallic Species and Uptakes of Water-Soluble Organics
inferred← citeshttps://doi.org/10.1021/acs.iecr.5c00118openalex-snapshot
Comparison of Realistic and Slit Models of Activated Carbon for Xe/Kr Separation
inferred← citeshttps://doi.org/10.1021/acs.iecr.6c02847openalex-snapshot
Effects of Reaction Conditions on the Oxidation Behavior of Soot Particles: A Molecular Dynamics Study Based on Realistic Particle Structures
inferred← citeshttps://doi.org/10.1021/acs.jpcc.6b03142openalex-snapshot
Consecutive Water Transport through Zero-Dimensional Graphene Gates of Single-Walled Carbon Nanohorns
inferred← citeshttps://doi.org/10.1021/acs.jpcc.6b12774openalex-snapshot
Molecular Modeling of Microporous Structures of Carbide-Derived Carbon-Based Supercapacitors
inferred← citeshttps://doi.org/10.1021/acs.jpcc.8b03712openalex-snapshot
Treatment of Flue Gas using Graphene Sponge: A Simulation Study
inferred← citeshttps://doi.org/10.1021/acs.jpcc.8b09143openalex-snapshot
Understanding the Influence of Pore Heterogeneity on Water Adsorption in Realistic Molecular Models of Activated Carbons
inferred← citeshttps://doi.org/10.1021/acs.langmuir.7b01967openalex-snapshot
Pharmaceutical Removal from Water Effluents by Adsorption on Activated Carbons: A Monte Carlo Simulation Study
inferred← citeshttps://doi.org/10.1021/acs.macromol.4c00187openalex-snapshot
Entanglement-Stabilized Nanoporous Polymer Films Made by Mechanical Deformation
inferred← citeshttps://doi.org/10.1021/acs.macromol.9b02166openalex-snapshot
Determining the Mesh Size of Polymer Solutions via the Pore Size Distribution
inferred← citeshttps://doi.org/10.1021/acsami.0c01043openalex-snapshot
Separation of CF 4 /N 2 , C 2 F 6 /N 2 , and SF 6 /N 2 Mixtures in Amorphous Activated Carbons Using Molecular Simulations
inferred← citeshttps://doi.org/10.1021/acsami.4c21036openalex-snapshot
Toward Rational Design of Carbon-Based Electrodes for High-Performance Supercapacitors
inferred← citeshttps://doi.org/10.1021/es1043672openalex-snapshot
Capture of Trace Sulfur Gases from Binary Mixtures by Single-Walled Carbon Nanotube Arrays: A Molecular Simulation Study
inferred← citeshttps://doi.org/10.1021/ie060162popenalex-snapshot
Monte Carlo Simulation Study of Water Adsorption in Activated Carbon
inferred← citeshttps://doi.org/10.1021/ie1010433openalex-snapshot
Computational Study on Purification of CO2 from Natural Gas by C60 Intercalated Graphite
inferred← citeshttps://doi.org/10.1021/ie201715qopenalex-snapshot
Improved Inheritance Algorithm for the Assembly of Coal Fragments
inferred← citeshttps://doi.org/10.1021/jacs.3c02041openalex-snapshot
Expandable Li Percolation Network: The Effects of Site Distortion in Cation-Disordered Rock-Salt Cathode Material
inferred← citeshttps://doi.org/10.1021/jp010346bopenalex-snapshot
Equilibrium Properties of a Model Electrolyte Adsorbed in Quenched Disordered Charged Media: the ROZ Theory and GCMC Simulations
inferred← citeshttps://doi.org/10.1021/jp035715dopenalex-snapshot
Adsorption of Methane and Hydrogen on Mesocarbon Microbeads by Experiment and Molecular Simulation
inferred← citeshttps://doi.org/10.1021/jp063973fopenalex-snapshot
Curved-surface atomic modelling of nano-porous carbon
inferred← citeshttps://doi.org/10.1021/jp2053162openalex-snapshot
How Water Adsorbs in Hydrophobic Nanospaces
inferred← citeshttps://doi.org/10.1021/jp408617jopenalex-snapshot
Ionic Liquids Confined in a Realistic Activated Carbon Model: A Molecular Simulation Study
inferred← citeshttps://doi.org/10.1021/la011132oopenalex-snapshot
Nitrogen Adsorption in Carbon Aerogels: A Molecular Simulation Study
inferred← citeshttps://doi.org/10.1021/la0118560openalex-snapshot
Adsorption of Water in Activated Carbons: Effects of Pore Blocking and Connectivity
inferred← citeshttps://doi.org/10.1021/la0155855openalex-snapshot
Adsorption of Methane, Ethane, and Their Binary Mixtures on MCM-41: Experimental Evaluation of Methods for the Prediction of Adsorption Equilibrium
inferred← citeshttps://doi.org/10.1021/la020319sopenalex-snapshot
Monte Carlo Simulation of O2 and N2 Adsorption in Nanoporous Carbon (C168 Schwarzite)
inferred← citeshttps://doi.org/10.1021/la034595yopenalex-snapshot
Structural Modeling of Porous Carbons: Constrained Reverse Monte Carlo Method
inferred← citeshttps://doi.org/10.1021/la0347354openalex-snapshot
Water Adsorption in Carbon-Slit Nanopores
inferred← citeshttps://doi.org/10.1021/la047545hopenalex-snapshot
Prediction of High-Pressure Adsorption Equilibrium of Supercritical Gases Using Density Functional Theory
inferred← citeshttps://doi.org/10.1021/la0508902openalex-snapshot
Does Water Condense in Carbon Pores?
inferred← citeshttps://doi.org/10.1021/la052651kopenalex-snapshot
Fast Method for Computing Pore Size Distributions of Model Materials
inferred← citeshttps://doi.org/10.1021/la0534017openalex-snapshot
Ring Connectivity: Measuring Network Connectivity in Network Covalent Solids
inferred← citeshttps://doi.org/10.1021/la053402zopenalex-snapshot
Molecular Modeling of Porous Carbons Using the Hybrid Reverse Monte Carlo Method
inferred← citeshttps://doi.org/10.1021/la800351dopenalex-snapshot
New Method for Atomistic Modeling of the Microstructure of Activated Carbons Using Hybrid Reverse Monte Carlo Simulation
inferred← citeshttps://doi.org/10.1021/ma200345vopenalex-snapshot
Molecular Simulations of PIM-1-like Polymers of Intrinsic Microporosity
inferred← citeshttps://doi.org/10.1039/b009792fopenalex-snapshot
Dielectric studies of freezing behavior in porous materials: Water and methanol in activated carbon fibres
inferred← citeshttps://doi.org/10.1039/b710552eopenalex-snapshot
How realistic is the pore size distribution calculated from adsorption isotherms if activated carbon is composed of fullerene-like fragments?
inferred← citeshttps://doi.org/10.1039/b821633aopenalex-snapshot
Ar, CCl4 and C6H6 adsorption outside and inside of the bundles of multi-walled carbon nanotubes—simulation study
inferred← citeshttps://doi.org/10.1039/b926206gopenalex-snapshot
Microscopic model of carbonaceous nanoporous molecular sieves—anomalous transport in molecularly confined spaces
inferred← citeshttps://doi.org/10.1039/c3cp52708eopenalex-snapshot
To the pore and through the pore: thermodynamics and kinetics of helium in exotic cubic carbon polymorphs
inferred← citeshttps://doi.org/10.1039/c6ra07533aopenalex-snapshot
Atomistic modelling insight into the structure of lignite-based activated carbon and benzene sorption behavior
inferred← citeshttps://doi.org/10.1039/c9cp02601kopenalex-snapshot
An investigation of free-energy-averaged (coarse-grained) potentials for fluid adsorption on heterogeneous solid surfaces
inferred← citeshttps://doi.org/10.1039/d4sm00569dopenalex-snapshot
Stable polydisperse free-standing porous films made by mechanical deformation
inferred← citeshttps://doi.org/10.1039/d4ta03607gopenalex-snapshot
Revealing the critical pore size for hydrogen storage via simultaneous enclathration and physisorption in activated carbon
inferred← citeshttps://doi.org/10.1039/d5cp04787kopenalex-snapshot
Mechanistic insights into pH-dependent ofloxacin adsorption on nanoporous carbons
inferred← citeshttps://doi.org/10.1063/1.1426412openalex-snapshot
Global phase diagrams for freezing in porous media
inferred← citeshttps://doi.org/10.1063/1.1508363openalex-snapshot
Layering and orientational ordering of propane on graphite: An experimental and simulation study
inferred← citeshttps://doi.org/10.1063/1.1808124openalex-snapshot
Network structures of polyhedral oligomeric silsesquioxane based nanocomposites: A Monte Carlo study
inferred← citeshttps://doi.org/10.1063/1.2043048openalex-snapshot
Computer simulation study of pattern transfer in AB diblock copolymer film adsorbed on a heterogeneous surface
inferred← citeshttps://doi.org/10.1063/1.4873435openalex-snapshot
Physical origins of weak H2 binding on carbon nanostructures: Insight from ab initio studies of chemically functionalized graphene nanoribbons
inferred← citeshttps://doi.org/10.1063/1.4914921openalex-snapshot
Optimized molecular reconstruction procedure combining hybrid reverse Monte Carlo and molecular dynamics
inferred← citeshttps://doi.org/10.1063/5.0165182openalex-snapshot
Thermodynamic calculations using reverse Monte Carlo: Simultaneously tuning multiple short-range order parameters for 2D lattice adsorption problem
inferred← citeshttps://doi.org/10.1063/5.0249738openalex-snapshot
A new determination of group-modified pore size distribution of activated carbon from confined density distribution
inferred← citeshttps://doi.org/10.1080/00268970110087254openalex-snapshot
Influence of chemical and physical surface heterogeneity on chemical reaction equilibria in carbon micropores
inferred← citeshttps://doi.org/10.1080/00268970210142666openalex-snapshot
Keith E. Gubbins: A celebration of statistical mechanics
inferred← citeshttps://doi.org/10.1080/00268970601012736openalex-snapshot
Adsorption, structure and dynamics of fluids in ordered and disordered models of porous carbons
inferred← citeshttps://doi.org/10.1080/01496395.2012.755699openalex-snapshot
Molecular Simulations in Activated Carbons for Carbon Monoxide Removal From Wet Mixture of Hydrogen and Carbon Monoxide
inferred← citeshttps://doi.org/10.1080/08927020108031361openalex-snapshot
Computer Simulation of Isothermal Mass Transport in Graphite Slit Pores
inferred← citeshttps://doi.org/10.1080/08927020600675699openalex-snapshot
Structure of saccharose-based carbon and transport of confined fluids: hybrid reverse Monte Carlo reconstruction and simulation studies
inferred← citeshttps://doi.org/10.1080/08927020600675707openalex-snapshot
Adsorption and structure of argon in activated porous carbons
inferred← citeshttps://doi.org/10.1080/08927020600717095openalex-snapshot
Analysis of gas adsorption in Kureha active carbon based on the slit–pore model and Monte-Carlo simulations
inferred← citeshttps://doi.org/10.1080/08927020600836242openalex-snapshot
Virtual porous carbons: what they are and what they can be used for
inferred← citeshttps://doi.org/10.1080/08927022.2015.1089992openalex-snapshot
Molecular modelling of ionic liquids in the ordered mesoporous carbon CMK-5
inferred← citeshttps://doi.org/10.1080/08927022.2015.1089995openalex-snapshot
Molecular simulation of methane adsorption in activated carbon: the impact of pore structure and surface chemistry
inferred← citeshttps://doi.org/10.1080/08927022.2023.2202780openalex-snapshot
Relaxation dynamics in lattice reverse Monte Carlo
inferred← citeshttps://doi.org/10.1080/10408430500406265openalex-snapshot
New Perspectives on the Structure of Graphitic Carbons
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