D. Nicholson

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A coherent definition of Henry constant and isosteric heat at zero loading for adsorption in solids – An absolute accessible volume

D. Do, L. Prasetyo, D. Nicholson, 2018 .

Development of averaged solid–fluid potential energies for layers and solids of various geometries and dimensionality

D. Do, D. Nicholson, Lumeng Liu, 2017, Adsorption.

Capillary condensation of adsorbates in porous materials.

D. Do, D. Nicholson, T. Horikawa, 2011, Advances in colloid and interface science.

Adsorption of gas mixtures on solid surfaces, theory and computer simulation

R. Cracknell, D. Nicholson, 1995 .

Molecular transport in nanopores

S. Bhatia, D. Nicholson, 2003 .

Special Issue on “Transport of Fluids in Nanoporous Materials”

Guozhao Ji, S. Bhatia, Xuechao Gao, 2019, Processes.

Hydrodynamic origin of diffusion in nanopores.

S. Bhatia, D. Nicholson, David Nicholson, 2003, Physical review letters.

Solid deformation induced by the adsorption of methane and methanol under sub- and supercritical conditions.

D. Do, D. Nicholson, V. T. Nguyen, 2012, Journal of colloid and interface science.

On the anatomy of the adsorption heat versus loading as a function of temperature and adsorbate for a graphitic surface.

D. Do, H. Do, D. Nicholson, 2008, Journal of colloid and interface science.

A grand ensemble Monte Carlo study of krypton adsorbed on graphite

D. Nicholson, J. S. Whitehouse, N. Parsonage, 1983 .

Temperature Dependence of Micropore Filling of N2 in Slit-Shaped Carbon Micropores: Experiment and Grand Canonical Monte Carlo Simulation

K. Kaneko, T. Ohba, D. Nicholson, 2003 .

Water adsorption on carbon - A review.

D. Do, Junjie Liu, D. Nicholson, 2017, Advances in colloid and interface science.

A statistical mechanical study of a model for the stacking/unstacking behaviour of thylakoid membranes

D. Nicholson, N. Parsonage, 1992 .

Interbilayer repulsion in nonionic surfactant-water lamellar phases.

R. Cracknell, D. Nicholson, N. Parsonage, 1992 .

Molecular simulation of flow-enhanced nucleation in n-eicosane melts under steady shear and uniaxial extension.

G. Rutledge, D. Nicholson, 2016, The Journal of chemical physics.

Wetting/Non-wetting behaviour of quadrupolar molecules (N2, C2H4, CO2) on Planar Substrates

D. Do, Hui Xu, D. Nicholson, 2021 .

On the resolution of constant isosteric heat of propylene adsorption on graphite in the sub-monolayer coverage region

D. Do, K. Nakai, L. Prasetyo, 2017 .

Computer Simulation of Benzene–Water Mixture Adsorption in Graphitic Slit Pores

D. Do, D. Nicholson, P. Nguyen, 2012 .

Structure of methanol sub-monolayer on functionalized graphite at temperatures below the triple point

D. Do, S. Chaemchuen, Nikom Klomkliang, 2019, Colloids and Surfaces A: Physicochemical and Engineering Aspects.

Wedge pore modelling of gas adsorption in activated carbon: Consistent pore size distributions

D. Do, L. Prasetyo, D. Nicholson, 2020 .

On the condensation/evaporation pressures and isosteric heats for argon adsorption in pores of different cross-sections

D. Do, L. Herrera, D. Nicholson, 2013 .

A Transition in the Diffusivity of Adsorbed Fluids through Micropores

R. Cracknell, N. Quirke, D. Nicholson, 1996 .

FLUID FLOW IN NANOPORES: ACCURATE BOUNDARY CONDITIONS FOR CARBON NANOTUBES

Nicholas Quirke, N. Quirke, D. Nicholson, 2002 .

Interfacial Resistance and Length-Dependent Transport Diffusivities in Carbon Nanotubes

Lang Liu, S. Bhatia, D. Nicholson, 2016 .

Friction between solids and adsorbed fluids is spatially distributed at the nanoscale.

S. Bhatia, D. Nicholson, 2013, Langmuir : the ACS journal of surfaces and colloids.

The interplay between molecular layering and clustering in adsorption of gases on graphitized thermal carbon black--spill-over phenomenon and the important role of strong sites.

D. Do, Chunyan Fan, D. Nicholson, 2015, Journal of colloid and interface science.

Characterization of non-graphitized carbon blacks: a model with surface crevices.

D. Do, D. Nicholson, T. Horikawa, 2021, Physical chemistry chemical physics : PCCP.

Effects of temperature on the transition from clustering to layering for argon adsorption on substrates of different strength - Parametric map of wetting, pre-wetting and non-wetting

D. Do, L. Prasetyo, D. Nicholson, 2020 .

Nonwetting/Prewetting/Wetting Transition of Ammonia on Graphite.

D. Do, L. Prasetyo, D. Nicholson, 2019, Langmuir : the ACS journal of surfaces and colloids.

On the canonical isotherms for bulk fluid, surface adsorption and adsorption in pores: A common thread.

D. Do, D. Nicholson, S. Tan, 2019, Journal of colloid and interface science.

A new and effective Bin–Monte Carlo scheme to study vapour–liquid equilibria and vapour–solid equilibria

D. Do, Chunyan Fan, D. Nicholson, 2012 .

On the microscopic origin of the hysteresis loop in closed end pores – Adsorbate restructuring

D. Do, Poomiwat Phadungbut, D. Nicholson, 2016 .

Measuring Flow-Induced Crystallization Kinetics of Polyethylene after Processing

Kenneth L. Kearns, D. Monaenkova, G. Rutledge, 2021 .

The Henry constant and isosteric heat at zero loading for adsorption on energetically heterogeneous solids absolute versus excess

D. Do, Hui Xu, L. Prasetyo, 2020 .

Consistency of NVT, NPT, µVT and Gibbs (NV2T and NPT) with kinetic Monte Carlo schemes

D. Do, D. Nicholson, S. Tan, 2020 .

Temperature dependence of water adsorption on highly graphitized carbon black and highly ordered mesoporous carbon

J. R. Alcántara-Ávila, D. Do, K. Sotowa, 2017 .

Novel approach to the characterization of the pore structure and surface chemistry of porous carbon with Ar, N2, H2O and CH3OH adsorption

D. Do, Poomiwat Phadungbut, Chunyan Fan, 2015 .

Existence of ultrafine crevices and functional groups along the edge surfaces of graphitized thermal carbon black.

D. Do, D. Nicholson, Yonghong Zeng, 2015, Langmuir : the ACS journal of surfaces and colloids.

Water as a potential molecular probe for functional groups on carbon surfaces

D. Do, D. Nicholson, T. Horikawa, 2014 .

On the relative strength of adsorption of gases on carbon surfaces with functional groups: fluid–fluid, fluid–graphite and fluid–functional group interactions

D. Do, D. Nicholson, T. Horikawa, 2013 .

GCMC simulation of argon adsorption in wedge shaped mesopores of finite length

D. Do, D. Nicholson, S. Aghamiri, 2013, Adsorption.

Flow in capillary systems: II. Low pressure transition flow of gases in short capillaries, rectangular slits, beds of spheres and parallel capillary bundles

D. Nicholson, R. M. Barrer, 1966 .

Undulation Theory and Analysis of Capillary Condensation in Cylindrical and Spherical Pores

D. Do, Poomiwat Phadungbut, D. Nicholson, 2015 .

Studies of high density water films by computer simulation

D. Nicholson, J. S. Whitehouse, N. Parsonage, 1985 .

A Monte Carlo study of equilibrium transition in finite cylindrical pores

D. Do, D. Nicholson, V. T. Nguyen, 2014 .

A simulation study of the effects of adsorbent energy on the diffusion of molecules in slit pores: 1 commensurate slit widths

S. Suh, D. Nicholson, 2001 .

Comments on "Diffusion in a mesoporous silica membrane: Validity of the Knudsen diffusion model" by Ruthven, D.M., et al., Chem. Eng. Sci. 64 (2009) 3201-3203

S. Bhatia, D. Nicholson, 2010 .

Molecular Dynamics Studies of Diffusion in Model Cylindrical Pores at Very Low Densities

S. Suh, D. Nicholson, G. Papadopoulos, 1999 .

Prediction of carbon dioxide permeability in carbon slit pores

Y. Lim, S. Bhatia, T. X. Nguyen, 2010 .

SLIP FLOW IN LONG, SINGLE CAPILLARIES: PART III. THE TRANSIENT STATE OF FLOW

D. Nicholson, R. M. Barrer, 1965 .

On the Cavitation-Like Pore Blocking in Ink-Bottle Pore: Evolution of Hysteresis Loop with Neck Size

D. Do, Chunyan Fan, D. Nicholson, 2013 .

Hysteresis and scanning curves in linear arrays of mesopores with two cavities and three necks Classification of the scanning curves

D. Do, D. Nicholson, Yonghong Zeng, 2016 .

Adsorption on ordered and disordered duplex layers of porous anodic alumina.

D. Do, Poomiwat Phadungbut, G. Mistura, 2015, Langmuir : the ACS journal of surfaces and colloids.

Evaporation from an Ink-Bottle Pore: Mechanisms of Adsorption and Desorption

D. Do, Chunyan Fan, D. Nicholson, 2014 .

Condensation and Evaporation in Capillaries with Nonuniform Cross Sections

D. Do, Chunyan Fan, D. Nicholson, 2013 .

On the irreversibility of the adsorption isotherm in a closed-end pore.

D. Do, D. Nicholson, P. Nguyen, 2013, Langmuir : the ACS journal of surfaces and colloids.

On the cavitation and pore blocking in cylindrical pores with simple connectivity.

D. Do, D. Nicholson, P. Nguyen, 2011, The journal of physical chemistry. B.

On the Hysteresis Loop of Argon Adsorption in Cylindrical Pores

D. Do, D. Nicholson, P. Nguyen, 2011 .

On the cavitation and pore blocking in slit-shaped ink-bottle pores.

D. Do, Chunyan Fan, D. Nicholson, 2011, Langmuir : the ACS journal of surfaces and colloids.

On the growth of argon clusters on a weak adsorbent decorated with patches.

D. Do, L. Prasetyo, D. Nicholson, 2019, Journal of colloid and interface science.

On the evolution of the heat spike in the isosteric heat versus loading for argon adsorption on graphite-A new molecular model for graphite & reconciliation between experiment and computer simulation

D. Do, K. Nakai, D. Nicholson, 2017 .

A grand canonical Monte Carlo study of Lennard-Jones mixtures in slit shaped pores

R. Cracknell, N. Quirke, D. Nicholson, 1993 .

Monte Carlo Simulation of Adsorption-Induced Deformation in Finite Graphitic Slit Pores

D. Do, Chunyan Fan, D. Nicholson, 2016 .

On the existence of a hysteresis loop in open and closed end pores

D. Do, Chunyan Fan, D. Nicholson, 2015 .

Condensation and Evaporation in Slit-Shaped Pores: Effects of Adsorbate Layer Structure and Temperature

D. Do, Chunyan Fan, D. Nicholson, 2014 .

Pore connectivity and hysteresis in gas adsorption: A simple three-pore model

D. Do, D. Nicholson, P. Nguyen, 2013 .

Simulation study of hysteresis of argon adsorption in a conical pore and a constricted cylindrical pore.

D. Do, D. Nicholson, P. Nguyen, 2013, Journal of colloid and interface science.

On the hysteresis and equilibrium phase transition of argon and benzene adsorption in finite slit pores: Monte Carlo vs. Bin-Monte Carlo

D. Do, Nikom Klomkliang, D. Nicholson, 2013 .

Adsorption induced deformation in graphitic slit mesopores: A Monte Carlo simulation study

D. Do, Chunyan Fan, D. Nicholson, 2017 .

Molecular simulation of excess isotherm and excess enthalpy change in gas-phase adsorption.

D. Do, H. Do, D. Nicholson, 2009, The journal of physical chemistry. B.

On the Henry constant and isosteric heat at zero loading in gas phase adsorption.

D. Do, H. Do, D. Nicholson, 2008, Journal of colloid and interface science.

Intermolecular Potential Function for the Physical Adsorption of Rare Gases in Silicalite

R. Pellenq, D. Nicholson, 1994 .

Rare Gas Probes for Energetic Heterogeneity in Zeolite Pores: Theory And Simulation

R. Pellenq, D. Nicholson, 1994 .

Wedge pore model as an alternative to the uniform slit pore model for the determination of pore size distribution in activated carbon

D. Do, Poomiwat Phadungbut, D. Nicholson, 2015 .

Investigation of step formation in multilayer adsorption isotherms using a lattice model

D. Nicholson, R. Silvester, 1977 .

On the transition from partial wetting to complete wetting of methanol on graphite.

D. Do, L. Prasetyo, D. Nicholson, 2019, Physical chemistry chemical physics : PCCP.

The role of adsorbate size on adsorption of Ne and Xe on graphite.

D. Do, L. Prasetyo, D. Nicholson, 2018, Journal of colloid and interface science.

A GCMC simulation and experimental study of krypton adsorption/desorption hysteresis on a graphite surface.

D. Do, Poomiwat Phadungbut, L. Prasetyo, 2016, Journal of colloid and interface science.

On the explanation of hysteresis in the adsorption of ammonia on graphitized thermal carbon black.

D. Do, K. Nakai, D. Nicholson, 2016, Physical chemistry chemical physics : PCCP.

Adsorption of Ar and SO2 on graphitized carbon black: The importance of functional groups

D. Do, D. Nicholson, S. Aghamiri, 2016, Adsorption.

Adsorption of Water and Methanol on Highly Graphitized Thermal Carbon Black and Activated Carbon Fibre

J. R. Alcántara-Ávila, D. Do, K. Sotowa, 2015 .

Anatomy of Adsorption in Open-End and Closed-End Slit Mesopores: Adsorption, Desorption, and Equilibrium Branches of Hysteresis Loop

D. Do, Poomiwat Phadungbut, D. Nicholson, 2014 .

Microscopic analysis of adsorption in slit-like pores: layer fluctuations of particle number, layer isosteric heat and histogram of particle number

D. Do, L. Herrera, D. Nicholson, 2011 .

Adsorption in micropores (nanopores): a computer appraisal of the Dubinin equations

D. Do, H. Do, D. Nicholson, 2009 .

On the hysteresis of argon adsorption in a uniform closed end slit pore.

D. Do, Chunyan Fan, D. Nicholson, 2013, Journal of colloid and interface science.

Hysteresis loop and scanning curves of argon adsorption in closed-end wedge pores.

D. Do, Nikom Klomkliang, D. Nicholson, 2014, Langmuir : the ACS journal of surfaces and colloids.

Characterization of a New Solid Having Graphitic Hexagonal Pores with a GCMC Technique

D. Do, K. Morishige, D. Nicholson, 2011 .

Nitrogen Adsorption in Slit Pores at Ambient Temperatures: Comparison of Simulation and Experiment

R. Cracknell, K. Kaneko, D. Nicholson, 1994 .

Study of heat of adsorption across the capillary condensation in cylindrical pores

D. Do, D. Nicholson, Yao Wang, 2011 .

Effects of Surface Curvature and Surface Strength on Argon Adsorption in Carbon Nanotubes at Temperatures below the Triple Point

D. Do, D. Nicholson, Zhongjun Liu, 2010 .

On the hysteresis of adsorption and desorption of simple gases in open end and closed end pores

D. Do, Chunyan Fan, L. Prasetyo, 2017 .

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

D. Do, Chunyan Fan, D. Nicholson, 2015 .

An undulation theory for condensation in open end slit pores: critical hysteresis temperature & critical hysteresis pore size.

D. Do, Chunyan Fan, D. Nicholson, 2014, Physical chemistry chemical physics : PCCP.

Reconciliation of different simulation methods in the determination of the equilibrium branch for adsorption in pores

D. Do, D. Nicholson, V. T. Nguyen, 2014 .

Monte Carlo simulation of the gas-phase volumetric adsorption system: effects of dosing volume size, incremental dosing amount, pore shape and size, and temperature.

D. Do, D. Nicholson, V. T. Nguyen, 2011, The journal of physical chemistry. B.

On the adsorbate restructuring induced hysteresis of simple gas adsorption in slit micropores

D. Do, Chunyan Fan, D. Nicholson, 2016 .

Cluster growth and coalescence of argon on weakly adsorbing substrates

D. Do, L. Prasetyo, D. Nicholson, 2018, Colloids and Surfaces A: Physicochemical and Engineering Aspects.

On the phase transition of argon adsorption in an open end slit pore—Effects of temperature and pore size

D. Do, C. Tangsathitkulchai, Poomiwat Phadungbut, 2015 .

Chemical potential, Helmholtz free energy and entropy of argon with kinetic Monte Carlo simulation

D. Do, Chunyan Fan, E. Ustinov, 2014 .

Determination of absolute adsorption for argon on flat surfaces under sub- and supercritical conditions

D. Do, C. Tangsathitkulchai, Poomiwat Phadungbut, 2015 .

On the existence of negative excess isotherms for argon adsorption on graphite surfaces and in graphitic pores under supercritical conditions at pressures up to 10,000 atm.

D. Do, Chunyan Fan, H. Do, 2010, Langmuir : the ACS journal of surfaces and colloids.

Computer simulation of argon adsorption on graphite surface from subcritical to supercritical conditions: the behavior of differential and integral molar enthalpies of adsorption.

D. Do, Chunyan Fan, D. Nicholson, 2010, Langmuir : the ACS journal of surfaces and colloids.

Monte Carlo simulation and experimental studies on the low temperature characterization of nitrogen adsorption on graphite

D. Do, J. Jagiello, Chunyan Fan, 2013 .

Molecular theory of adsorption in pore spaces. Part 1.—Isotherms for simple lattice models

D. Nicholson, 1975 .

New method to determine surface area and its energy distribution for nonporous solids: a computer simulation and experimental study.

D. Do, L. Herrera, Chunyan Fan, 2010, Langmuir : the ACS journal of surfaces and colloids.

Effects of Adsorbent Deformation on the Adsorption of Gases in Slitlike Graphitic Pores: A Computer Simulation Study

D. Do, H. Do, D. Nicholson, 2008 .

First order dispersion energy in the interaction of small molecules with graphite

D. Nicholson, 1984 .

Calculation of the ``surface flow'' of a dilute gas in model pores from first principles

D. Nicholson, J. Petropoulos, 1985 .

A computer appraisal of BET theory, BET surface area and the calculation of surface excess for gas adsorption on a graphite surface

D. Do, H. Do, D. Nicholson, 2010 .

Development of equations for differential and integral enthalpy change of adsorption for simulation studies.

D. Do, Chunyan Fan, D. Nicholson, 2011, Langmuir : the ACS journal of surfaces and colloids.

Effects of confinement on the molar enthalpy of argon adsorption in graphitic cylindrical pores: a grand canonical Monte Carlo (GCMC) simulation study.

D. Do, D. Nicholson, Zhongjun Liu, 2011, Journal of colloid and interface science.

Evaluation of a Model Potential Function for Ar Graphite Interaction using Computer Simulation

R. Cracknell, D. Nicholson, N. Parsonage, 1990 .

Packing effects on argon and methanol adsorption inside graphitic cylindrical and slit pores: a GCMC simulation study.

D. Do, D. Nicholson, T. Horikawa, 2012, Journal of colloid and interface science.

Molecular theory for the heat of transport of dilute adsorbable gases in model pores

D. Nicholson, J. Petropoulos, 1981 .

Calculation of the “surface flow” of a dilute gas in model pores from first principles: II. Molecular gas flow in model pores as a function of gas-solid interaction and pore shape

D. Nicholson, J. Petropoulos, 1981 .

Calculation of the “surface flow” of a dilute gas in model pores from first principles. I. Calculation of free molecule flow in an adsorbent force field by two methods

D. Nicholson, J. Petropoulos, J. Petrou, 1979 .

A fundamental approach to molecular flow in pore spaces

D. Nicholson, J. Petropoulos, 1975 .

A revisit to the Gibbs dividing surfaces and helium adsorption

L. Herrera, Chunyan Fan, D. Nicholson, 2011 .

Henry constant and isosteric heat at zero-loading for gas adsorption in carbon nanotubes.

D. Do, A. Wongkoblap, H. Do, 2008, Physical chemistry chemical physics : PCCP.

A novel and consistent method (TriPOD) to characterize an arbitrary porous solid for its accessible volume, accessible geometrical surface area and accessible pore size

D. Do, L. Herrera, Chunyan Fan, 2011 .

Grand canonical Monte Carlo study of Lennard-Jones mixtures in slit pores. Part 3.—Mixtures of two molecular fluids: ethane and propane

R. Cracknell, D. Nicholson, 1994 .

Simulation studies of the fluid–solid monolayer transition in argon adsorbed on graphite at 77.5 K

D. Nicholson, N. Parsonage, 1986 .

MONTE CARLO CALCULATIONS FOR THE INTERACTION OF 12-6 ARGON AT 80 K WITH GRAPHITE IN THE REGION OF MONOLAYER ADSORPTION

D. Nicholson, L. A. Rowley, N. Parsonage, 1977 .

Adsorption and selectivity of carbon dioxide with methane and nitrogen in slit-shaped carbonaceous micropores: Simulation and experiment

R. Cracknell, S. Tennison, D. Nicholson, 1996 .

Grand Ensemble Monte Carlo Simulation of Simple Molecules Adsorbed in Silicalite-1 Zeolite

R. Pellenq, D. Nicholson, 1995 .

Molecular theory of adsorption in pore spaces. Part 2.—Thermodynamic and molecular lattice model descriptions of capillary condensation

D. Nicholson, 1976 .

Formaldehyde adsorption in carbon nanopores – New insights from molecular simulation

D. Do, Junjie Liu, D. Nicholson, 2019, Chemical Engineering Journal.

Adsorbate Transport in Nanopores

S. Bhatia, D. Nicholson, O. Jepps, 2005 .

A method for the determination of accessible surface area, pore volume, pore size and its volume distribution for homogeneous pores of different shapes

D. Do, L. Herrera, D. Nicholson, 2011 .

Grand ensemble Monte-Carlo studies of physical adsorption

D. Nicholson, L. A. Rowley, N. Parsonage, 1976 .

A grand ensemble Monte Carlo study of model epitaxial rare gas monolayers

D. Nicholson, L. A. Rowley, N. Parsonage, 1981 .

Prediction of high-pressure adsorption equilibrium of supercritical gases using density functional theory.

S. Bhatia, T. X. Nguyen, D. Nicholson, 2005, Langmuir : the ACS journal of surfaces and colloids.

Modeling mixture transport at the nanoscale: departure from existing paradigms.

S. Bhatia, D. Nicholson, 2008, Physical review letters.

Using computer simulation to study the properties of molecules in micropores

D. Nicholson, 1996 .

The fluid-solid potential for a dynamic surface

R. Cracknell, D. Nicholson, N. Parsonage, 1992 .

Triple-dipole dispersion interactions between a linear adsorbate and an anisotropic adsorbent

D. Nicholson, 1987 .

The role of accessibility in the characterization of porous solids and their adsorption properties

D. Do, L. Herrera, A. Wongkoblap, 2010 .

Capillary models for porous media I. Two-phase flow in a serial model

D. Nicholson, J. Petropoulos, 1968 .

Spectroscopic analysis in molecular simulations with discretized Wiener-Khinchin theorem for Fourier-Laplace transformation.

G. Rutledge, Takashi Yamamoto, D. Nicholson, 2020, Physical review. E.

Rotational insertion bias: a novel method for simulating dense phases of structured particles, with particular application to water

R. Cracknell, D. Nicholson, N. Parsonage, 1990 .

Adsorption of water and methanol on highly graphitized thermal carbon black: The effects of functional group and temperature on the isosteric heat at low loadings

D. Do, Nikom Klomkliang, D. Nicholson, 2016 .

Characterization of oxygen functional groups on carbon surfaces with water and methanol adsorption

D. Do, L. Prasetyo, D. Nicholson, 2015 .

Simulation of Adsorption in Micropores

D. Nicholson, Thanos Stubos, 2000 .

Computer simulation and the statistical mechanics of adsorption

D. Nicholson, David Nicholson, Neville G. Parsonage, 1982 .

Lattice model simulations of the stacking/unstacking behaviour in thylakoid membranes

J. Barber, S. J. Zara, D. Nicholson, 1990 .

A critical assessment of capillary condensation and evaporation equations: a computer simulation study.

D. Do, A. Wongkoblap, D. Nicholson, 2011, Journal of colloid and interface science.

Adsorption and Diffusion of Methane in Silica Nanopores: A Comparison of Single-Site and Five-Site Models

S. Bhatia, D. Nicholson, 2012 .

Simulation studies of methane transport in model graphite micropores

D. Nicholson, 1998 .

The transport of adsorbate mixtures in porous materials: Basic equations for pores with simple geometry

D. Nicholson, 1997 .

Development of kinetic Monte Carlo and Bin-Monte Carlo schemes for simulation of mixtures - vapor-liquid equilibria & adsorption

D. Do, E. Ustinov, D. Nicholson, 2013 .

Trace surface analysis with pico-coulomb ion fluences: Direct detection of multiphoton ionized iron atoms from iron-doped silicon targets☆

D. Nicholson, 1984 .

Application of kinetic Monte Carlo method to the vapour–liquid equilibria of associating fluids and their mixtures

D. Nicholson, V. T. Nguyen, S. Tan, 2016 .

Modelling of Mercury Intrusion and Extrusion

J. Duffie, J. Bell, I. Parker, 1994 .

On the description of argon adsorption on graphite for temperatures below the 2D-critical temperature

D. Do, Hui Xu, D. Nicholson, 2021 .

Many-body interactions and effective potentials in two- and three-dimensional solids and adsorbates

D. Nicholson, 1985 .

Dispersion interaction between adsorbed linear molecules

M. W. Cole, F. Toigo, D. Nicholson, 1988 .

Intermolecular Forces and Simulation in Pores

D. Nicholson, 1997 .

A simple method for calculating dispersion coefficients for isolated and condensed-phase species

R. Pellenq, D. Nicholson, Roland J.-M. Pellenq, 1998 .

INTERMOLECULAR POTENTIAL FUNCTIONS FOR ADSORPTION IN ZEOLITES STATE OF THE ART AND EFFECTIVE MODELS

R. Pellenq, D. Nicholson, A. Boutin, 1996 .

The role of three-body interactions in the adsorption of argon in silicalite-1

R. Pellenq, D. Nicholson, F. Fernandez-Alonso, 1995 .

Mixed Valency counterions between charged walls: an investigation using Monte Carlo simulation and comparison with Poisson−Boltzmann theory

J. Barber, S. J. Zara, D. Nicholson, 1989 .

Interbilayer repulsion in nonionic surfactant-water lamellar phases.: 1. A Monte Carlo study of a dipole array model with discrete water molecules

R. Cracknell, D. Nicholson, N. Parsonage, 1992 .

Flow-induced inhomogeneity and enhanced nucleation in a long alkane melt

G. Rutledge, D. Nicholson, 2020 .

Analysis of nucleation using mean first-passage time data from molecular dynamics simulation.

G. Rutledge, D. Nicholson, 2016, The Journal of chemical physics.

On the consistency of NVT, NPT, μVT and Gibbs ensembles in the framework of kinetic Monte Carlo – Fluid phase equilibria and adsorption of pure component systems

D. Do, L. Prasetyo, D. Nicholson, 2017 .

Monte Carlo grand canonical ensemble calculation in a gas-liquid transition region for 12-6 Argon

D. Nicholson, David Nicholson, Neville G. Parsonage, 1975 .

Experiments and Modeling of Flow-Enhanced Nucleation in LLDPE.

Kenneth L. Kearns, D. Monaenkova, G. Rutledge, 2022, The journal of physical chemistry. B.

Molecular transport in nanopores: a theoretical perspective.

S. Bhatia, D. Nicholson, M. R. Bonilla, 2011, Physical chemistry chemical physics : PCCP.

Rheology of Crystallizing LLDPE.

G. Rutledge, D. Nicholson, Anthony P. Kotula, 2020, Journal of rheology.

A new molecular model for water adsorption on graphitized carbon black

D. Do, D. Nicholson, V. T. Nguyen, 2014 .

Simulation of Adsorption in Model Microporous Graphite

D. Nicholson, 1991 .

A simulation study of the low temperature phase diagram of the methane monolayer on graphite: a test of potential energy functions.

D. Do, L. Prasetyo, D. Nicholson, 2020, Physical chemistry chemical physics : PCCP.

A grand ensemble Monte Carlo investigation of the Bell lattice model for water

D. Nicholson, J. S. Whitehouse, N. Parsonage, 1984 .

A Grand Canonical Monte-Carlo Study of Lennard-Jones Mixtures in Slit Pores; 2: Mixtures of Two Centre Ethane with Methane

R. Cracknell, N. Quirke, D. Nicholson, 1994 .

Influence of adsorption forces on the flow of dilute gases through porous media

D. Nicholson, J. Petropoulos, 1973 .

In-framework ion dipole polarizabilities in non-porous and porous silicates and aluminosilicates, determined from Auger electron spectroscopy data

R. Pellenq, D. Nicholson, 1993 .

Friction based modeling of multicomponent transport at the nanoscale.

S. Bhatia, D. Nicholson, 2008, The Journal of chemical physics.

Relation between macroscopic conductance and microscopic structural parameters of stochastic networks with application to fluid transport in porous materials

D. Nicholson, J. Petropoulos, J. Petrou, 1988 .

The Theory of Transient Flow with Adsorption, in Long, Single Capillaries

D. Nicholson, R. M. Barrer, R. Ash, 1963 .

A computer simulation and experimental study of the difference between krypton adsorption on a graphite surface and in a graphitic hexagonal pore

D. Do, K. Morishige, D. Nicholson, 2012 .

Effect of bending buckling of carbon nanotubes on thermal conductivity of carbon nanotube materials

J. Shiomi, L. Zhigilei, A. Volkov, 2012 .

Modeling Fluid Behavior in Well-Characterized Porous Materials

R. Cracknell, K. Gubbins, D. Nicholson, 1995 .

A computational exploration of cation locations in high- silica Ca-Chabazite

J. Soler, E. Artacho, J. Gale, 2000 .

A computational study of calcium cation locations and diffusion in chabazite

J. Gale, D. Nicholson, B. Peterson, 1999 .

The Adsorption of Argon and Nitrogen in Silicalite-1 Zeolite: A Grand Canonical Monte-Carlo study

D. Douguet, A. Fuchs, R. Pellenq, 1996 .

Molecular Simulation of Transport in a Single Micropore

K. Travis, D. Nicholson, 2000 .

Adsorption of methanol on highly graphitized thermal carbon black effects of the configuration of functional groups and their interspacing

D. Do, Nikom Klomkliang, D. Nicholson, 2017 .

A simulation study of the pore size dependence of transport selectivity in cylindrical pores

D. Nicholson, 2002 .

Effects of temperature, pore dimensions and adsorbate on the transition from pore blocking to cavitation in an ink-bottle pore

D. Do, Nikom Klomkliang, D. Nicholson, 2014 .

On the hysteresis loop and equilibrium transition in slit-shaped ink-bottle pores

D. Do, Nikom Klomkliang, D. Nicholson, 2013, Adsorption.

A Monte Carlo study of adsorption-induced deformation in wedge-shaped graphitic micropores

D. Do, D. Nicholson, Lumeng Liu, 2018, Chemical Engineering Journal.

Fluid flow in nanopores: An examination of hydrodynamic boundary conditions

Nicholas Quirke, V. P. Sokhan, N. Quirke, 2001 .

Inhibitory Effect of Adsorbed Water on the Transport of Methane in Carbon Nanotubes.

Lang Liu, S. Bhatia, D. Nicholson, 2017, Langmuir : the ACS journal of surfaces and colloids.

Impact of H2O on CO2 Separation from Natural Gas: Comparison of Carbon Nanotubes and Disordered Carbon

Lang Liu, S. Bhatia, D. Nicholson, 2015 .

An improved model for N2 adsorption on graphitic adsorbents and graphitized thermal carbon black—The importance of the anisotropy of graphene

D. Do, L. Prasetyo, D. Nicholson, 2017 .

Exceptionally high performance of charged carbon nanotube arrays for CO2 separation from flue gas

Lang Liu, S. Bhatia, D. Nicholson, 2017 .

A re-assessment of the isosteric heat for CCl4 adsorption on graphite

D. Do, D. Nicholson, S. Tan, 2019, Applied Surface Science.

On the microscopic origin of the temperature evolution of isosteric heat for methane adsorption on graphite.

D. Do, D. Nicholson, Lumeng Liu, 2017, Physical chemistry chemical physics : PCCP.

Modeling self-diffusion of simple fluids in nanopores.

S. Bhatia, D. Nicholson, 2011, The journal of physical chemistry. B.

Transport properties of nitrogen in single walled carbon nanotubes.

N. Quirke, D. Nicholson, V. Sokhan, 2004, The Journal of chemical physics.

Effect of the ratio of radius of sphere to radius of cylinder on adsorption and self-diffusion in a sphere-cylinder micropore

D. Nicholson, T. Demi, 1991 .

A self-consistent method to determine accessible volume, area and pore size distribution (APSD) of BPL, Norit and AX-21 activated carbon

D. Do, L. Herrera, Chunyan Fan, 2012 .

Long-range corrections to grand canonical ensemble Monte Carlo calculations for adsorption systems

D. Nicholson, L. A. Rowley, N. Parsonage, 1978 .

Grand ensemble Monte-Carlo studies of physical adsorption: II. The structure of the adsorbate. Critique of theories of multilayer adsorption for 12-6 argon on a plane homogeneous solid

D. Nicholson, L. A. Rowley, N. Parsonage, 1976 .

Some pitfalls in the use of the Knudsen equation in modelling diffusion in nanoporous materials

S. Bhatia, D. Nicholson, 2011 .

Molecular simulation of volume of mixing, Helmholtz free energy of mixing and entropy of mixing in bulk fluid mixtures

D. Do, D. Nicholson, S. Tan, 2018, Molecular Simulation.

Adsorption of Spherical Molecules in Probing the Surface Topography: 2. Model of Conditional Probabilities

D. Nicholson, F. Villieras, J. Cases, 2002 .

Correlation of isothermal and non-isothermal flow of dilute adsorbable gases in porous media

D. Nicholson, J. Petropoulos, 1981 .

Capillary models for porous media. V. Flow properties of random networks with various radius distributions

D. Nicholson, J. Petropoulos, 1975 .

Capillary models for porous media: IV. Flow properties of parallel and serial capillary models with various radius distributions

D. Nicholson, J. Petropoulos, 1973 .

Capillary Models for Porous Media: III. Two-phase flow in a three-dimensional network with Gaussian radius distribution.

D. Nicholson, J. Petropoulos, 1971 .

Determination of Micropore Size Distribution from Grand Canonical Monte Carlo Simulations and Experimental CO2 Isotherm Data

R. Cracknell, D. Nicholson, S. Samios, 1997 .

Separation of carbon dioxide-methane mixtures by adsorption: Effects of geometry and energetics on selectivity

K. Gubbins, D. Nicholson, 1996 .

Explanation of the unusual peak of calorimetric heat in the adsorption of nitrogen, argon and methane on graphitized thermal carbon black.

D. Do, A. Wongkoblap, D. Nicholson, 2008, Physical chemistry chemical physics : PCCP.

Computer simulation of adsorption

D. Nicholson, N. Parsonage, 1979 .

The flow of a non-adsorbed, collisionless gas through linked spheres — a model for zeolite diffusion

D. Nicholson, N. Kanellopoulos, K. Munday, 1983 .

Two-Phase Flow in a Two-Dimensional Bidisperse Anisotropic Pore Network Model

D. Nicholson, Peter J. Schweighart, 1990 .

Capillary models for porous media. VIII. A study of gaseous flow in the transition from the Knudsen to the Poiseuille flow regimes

D. Nicholson, J. Petropoulos, 1978 .

Capillary models for porous media. VII. Study of gaseous flow in the transition from the Knudsen to the counter-diffusion regimes

D. Nicholson, J. Petropoulos, 1977 .

Capillary models for porous media. VI. Approximate expressions for gaseous Knudsen flow in random networks

D. Nicholson, J. Petropoulos, 1977 .

Effect of pore structure and macroscopic non-homogeneity on the relative gas permeability of porous solids

D. Nicholson, J. Petropoulos, N. Kanellopoulos, 1985 .

Gas relative permeability in the capillary-network model

D. Nicholson, J. Petropoulos, 1984 .

Influence of macroscopic structure on the gas- and surface-phase flow of dilute gases in porous media

D. Nicholson, J. Petropoulos, 1982 .

Adsorption and Relative Permeability in a Two-Dimensional Bidisperse Anisotropic Pore Network Model

D. Nicholson, Peter J. Schweighart, 1990 .

Adsorption in alumina pores open at one and at both ends.

D. Do, G. Mistura, D. Nicholson, 2015, Nanoscale.

An assessment of models for flow-enhanced nucleation in an n-alkane melt by molecular simulation

G. Rutledge, D. Nicholson, 2019, Journal of Rheology.

Phonon spectra in model carbon nanotubes

Nicholas Quirke, V. P. Sokhan, N. Quirke, 2000 .

Effects of crystallite stacking on adsorption of ethylene on graphitized thermal carbon black

D. Do, D. Nicholson, Krittamet Phothong, 2021 .

Fundamentals of gas separation in nanoporous materials

D. Do, Hui Xu, L. Prasetyo, 2020 .

In-Crystal Oxygen Polarizability For Porous And Non-Porous Materials

R. Pellenq, D. Nicholson, 1994 .

Two-Body and Many-Body Interactions for Argon Adsorbed in Silicalite Zeolites

R. Pellenq, D. Nicholson, 1993 .

Adsorption in zeolites : intermolecular interactions and computer simulation

R. Pellenq, D. Nicholson, 1998 .

MOLECULAR SIMULATION OF ADSORPTION IN POROUS MATERIALS

D. Nicholson, 2004 .

ADSORPTION OF ARGON IN SILICALITE. A SEMIEMPIRICAL QUANTUM MECHANICAL STUDY OF THE REPULSIVE INTERACTION

R. Pellenq, C. Minot, D. Nicholson, 1995 .

Computer simulation of water between metal walls

D. Nicholson, N. Parsonage, 1986 .

Ion Pairing in Confined Electrolytes

N. Quirke, D. Nicholson, 2003 .

A Monte Carlo study of fluid water in contact with structureless walls

D. Nicholson, J. S. Whitehouse, N. Parsonage, 1981 .

Computational methodology for determining textural properties of simulated porous carbons.

D. Do, L. Herrera, C. Tangsathitkulchai, 2017, Journal of colloid and interface science.

SLIP FLOW IN LONG, SINGLE CAPILLARIES: PART II. STEADY-STATE FLOW AND SPECULAR REFLECTION

D. Nicholson, R. M. Barrer, 1965 .

On the 2D-transition, hysteresis and thermodynamic equilibrium of Kr adsorption on a graphite surface.

D. Do, Chunyan Fan, D. Nicholson, 2015, Journal of colloid and interface science.

A Monte Carlo scheme based on mid-density in a hysteresis loop to determine equilibrium phase transition

L. Herrera, D. Nicholson, V. T. Nguyen, 2011 .

Fluid transport in nanospaces

S. Bhatia, D. Nicholson, 2009 .

The role of isosteric enthalpy of adsorption in micropore characterisation: A simulation study.

N. Quirke, D. Nicholson, 2000 .

High-pressure adsorption capacity and structure of CO2 in carbon slit pores: theory and simulation.

S. Bhatia, T. X. Nguyen, D. Nicholson, 2004, Langmuir : the ACS journal of surfaces and colloids.

Tractable molecular theory of transport of Lennard-Jones fluids in nanopores.

S. Bhatia, D. Nicholson, O. Jepps, 2004, The Journal of chemical physics.

Momentum Transfer Effects in the Transport of Adsorbate at a Nano-Patterned Surface

S. Bhatia, D. Nicholson, 2005 .

Affinity and Packing of Benzene, Toluene, and p-Xylene Adsorption on a Graphitic Surface and in Pores

D. Do, Nikom Klomkliang, D. Nicholson, 2012 .

Multilayer adsorption of benzene on graphitised thermal carbon black—The importance of quadrupole and explicit hydrogen in the potential model

D. Do, Nikom Klomkliang, C. Tangsathitkulchai, 2012 .

Adsorption of argon on graphitized carbon black preloaded with methanol, ammonia and water: The role of adsorption regions and adsorbates

D. Do, Hui Xu, D. Nicholson, 2018 .

Adsorption of CH4 and CH4/CO2 mixtures in carbon nanotubes and disordered carbons: a molecular simulation study

Lang Liu, S. Bhatia, D. Nicholson, 2015 .

On the role of the quadrupole moment of carbon atom on water adsorption on graphite and in graphitic pores

D. Do, Hui Xu, D. Nicholson, 2021 .

Transport of simple fluids in nanopores: Theory and simulation

S. Bhatia, D. Nicholson, 2006 .

A thermodynamic study of the mid-density scheme to determine the equilibrium phase transition in cylindrical pores

D. Nicholson, Zhongjun Liu, D. D. Do, 2012 .

Molecular dynamics study of the self-diffusion of supercritical methane in slit-shaped graphitic micropores

R. Cracknell, K. Gubbins, D. Nicholson, 1995 .

Effects of Surface Structure and Temperature on the Surface Mediation, Layer Concentration and Molecular Projection Area: Adsorption of Argon and Nitrogen onto Graphitized Thermal Carbon Black

H. Do, D. Nicholson, D. D. Do, 2007 .

On the mechanism of water adsorption in carbon micropores – A molecular simulation study

D. Do, Junjie Liu, Hui Xu, 2019, Chemical Engineering Journal.

A simulation study of the adsorption of nitrogen in Ca-chabazite

J. Gale, D. Nicholson, B. Peterson, 2002 .

A comparative simulation study of the adsorption of nitrogen and methane in siliceous heulandite and chabazite

J. Gale, K. Travis, D. Nicholson, 2001 .

Parameterization of a potential function for the Ca2+ −Ne and Ca2+ −N2 interactions using high-level ab initio data

Julian D. Gale, J. Gale, D. Nicholson, 2000 .

Molecular simulation of the stepped adsorption isotherm of methane in AlPO4-5

R. Pellenq, D. Nicholson, A. Boutin, 1994 .

Atomic Heat Contributions for Carbon Dioxide Adsorption in IRMOF-1

S. Chaemchuen, Nikom Klomkliang, Poomiwat Phadungbut, 2021, Industrial & Engineering Chemistry Research.

Characterization of Cabot BP280 with argon and nitrogen adsorption at temperatures above and below the triple point – Energetic vs Structural heterogeneities

D. Do, L. Prasetyo, D. Nicholson, 2020 .

Close packed transitions in slit-shaped pores: Density functional theory study of methane adsorption capacity in carbon

S. Bhatia, T. X. Nguyen, D. Nicholson, 2002 .

Packing Transitions of Lennard Jones fluids in carbon slit pores

S. Bhatia, T. X. Nguyen, D. Nicholson, 2002 .

An efficient kinetic Monte Carlo scheme for computing Helmholtz free energy and entropy in bulk fluids and adsorption systems

D. Do, D. Nicholson, S. Tan, 2018 .

Bin-Monte Carlo simulation of ethylene coexistence and of ethylene adsorption on graphite

D. Do, D. Nicholson, C. Fan, 2013 .

Effects of a Free Adsorbate Boundary on the Description of an Argon Adsorbed Film on Graphite below the Bulk Triple Point.

D. Nicholson, Quang K. Loi, D. D. Do, 2023, Langmuir : the ACS journal of surfaces and colloids.

The Second Virial Coefficients for Water from Monte Carlo Integration Using Reduced Effective Charges

D. Nicholson, N. Parsonage, Y. Kong, 1994 .

Flow in capillary systems I: Gases in capillary pairs

D. Nicholson, R. M. Barrer, 1965 .

Deviation from electroneutrality in cylindrical pores

Kwong‐Yu Chan, S. J. Zara, D. Nicholson, 1999 .

On the identification of the sharp spike in the heat curve for argon, nitrogen, and methane adsorption on graphite: Reconciliation between computer simulation and experiments

D. Do, Chunyan Fan, D. Nicholson, 2012 .

Molecular Selectivity in Slit Shaped Micropores

R. Cracknell, D. Nicholson, 1996 .

Order-disorder transition of an argon adsorbate in graphitic wedge pores

D. Do, L. Prasetyo, D. Nicholson, 2020 .

Novel Method To Determine Accessible Volume, Area, and Pore Size Distribution of Activated Carbon

D. Do, L. Herrera, Chunyan Fan, 2011 .

Interplay between Wetting and Filling of Argon Adsorption in Slit Pores with Different Surface Energies Transition from Filling in Micropores to Capillary Condensation in Mesopores

D. Do, L. Prasetyo, D. Nicholson, 2019 .

A new interpretation of chemical potential in adsorption systems and the vapour–liquid interface

D. Do, D. Nicholson, S. Tan, 2018, Adsorption.

A novel application of kinetic Monte Carlo method in the description of N 2 vapour-liquid equilibria and adsorption

D. Do, Chunyan Fan, E. Ustinov, 2013 .

On the Nonwetting/Wetting Behavior of Carbon Dioxide on Graphite

D. Do, Hui Xu, D. Nicholson, 2019, The Journal of Physical Chemistry C.

Novel approach to the characterization of the pore structure and surface chemistry of porous carbon with Ar, N2, H2O and CH3OH adsorption

D. Do, Poomiwat Phadungbut, Chunyan Fan, 2015 .

Hysteresis loop and scanning curves for argon adsorbed in mesopore arrays composed of two cavities and three necks

D. Do, Nikom Klomkliang, D. Nicholson, 2015 .

A Monte Carlo integration method to determine accessible volume, accessible surface area and its fractal dimension.

D. Do, L. Herrera, D. Nicholson, 2010, Journal of colloid and interface science.

Effects of temperature on methanol adsorption on functionalized graphite: Saturation of functional groups

D. Do, S. Chaemchuen, Somsak Supasitmongkol, 2018, Chemical Engineering Science.

Scanning curves in wedge pore with the wide end closed: Effects of temperature

D. Do, Nikom Klomkliang, D. Nicholson, 2015 .