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Keith E. Gubbins - Publications

Affiliations: 
1962-1976 Chemical Engineering University of Florida, Gainesville, Gainesville, FL, United States 
 1976-1998 Chemical Engineering Cornell University, Ithaca, NY, United States 
 1998- Chemical Engineering North Carolina State University, Raleigh, NC 
Area:
Chemical Engineering, General Chemistry, Physical Chemistry
Website:
https://doi.org/10.1021/acs.langmuir.7b03390
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396 high-probability publications. We are testing a new system for linking publications to authors. You can help! If you notice any inaccuracies, please sign in and mark papers as correct or incorrect matches. If you identify any major omissions or other inaccuracies in the publication list, please let us know.

Year Citation  Score
2023 An R, Addington CK, Long Y, Rotnicki K, Śliwinska-Bartkowiak M, Thommes M, Gubbins KE. The Nanoscale Wetting Parameter and Its Role in Interfacial Phenomena: Phase Transitions in Nanopores. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 38095601 DOI: 10.1021/acs.langmuir.3c01925  0.808
2023 Shi K, Smith ER, Santiso EE, Gubbins KE. A perspective on the microscopic pressure (stress) tensor: History, current understanding, and future challenges. The Journal of Chemical Physics. 158: 040901. PMID 36725519 DOI: 10.1063/5.0132487  0.794
2021 Shi K, Santiso EE, Gubbins KE. Can we define a unique microscopic pressure in inhomogeneous fluids? The Journal of Chemical Physics. 154: 084502. PMID 33639773 DOI: 10.1063/5.0044487  0.803
2020 Shi K, Shen Y, Santiso EE, Gubbins KE. Microscopic Pressure Tensor in Cylindrical Geometry: Pressure of Water in a Carbon Nanotube. Journal of Chemical Theory and Computation. PMID 32786919 DOI: 10.1021/Acs.Jctc.0C00607  0.805
2020 Long Y, Palmer JC, Coasne B, Shi K, Sliwińska-Bartkowiak M, Gubbins KE. Reply to the 'Comment on "Pressure enhancement in carbon nanopores: a major confinement effect"' by D. van Dijk, Phys. Chem. Chem. Phys., 2020, 22, DOI: 10.1039/C9CP02890K. Physical Chemistry Chemical Physics : Pccp. PMID 32338271 DOI: 10.1039/C9Cp04289J  0.812
2020 Shi K, Santiso EE, Gubbins KE. Conformal Sites Theory for Adsorbed Films on Energetically Heterogeneous Surfaces. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 31983207 DOI: 10.1021/Acs.Langmuir.9B03633  0.809
2019 Shi K, Santiso EE, Gubbins KE. Bottom-up Approach to the Coarse-grained Surface Model: Effective Solid-fluid Potentials for Adsorption on Heterogeneous Surfaces. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 30955335 DOI: 10.1021/Acs.Langmuir.9B00440  0.809
2018 Addington CK, Long Y, Gubbins KE. The pressure in interfaces having cylindrical geometry. The Journal of Chemical Physics. 149: 084109. PMID 30193498 DOI: 10.1063/1.5037054  0.834
2018 Shi K, Gu K, Shen Y, Srivastava D, Santiso EE, Gubbins KE. High-density equation of state for a two-dimensional Lennard-Jones solid. The Journal of Chemical Physics. 148: 174505. PMID 29739216 DOI: 10.1063/1.5029488  0.787
2018 Gubbins KE, Gu K, Huang L, Long Y, Mansell JM, Santiso EE, Shi K, Śliwińska-Bartkowiak M, Srivastava D. Surface-Driven High-Pressure Processing Engineering. 4: 311-320. DOI: 10.1016/J.Eng.2018.05.004  0.787
2017 Srivastava D, Turner CH, Santiso EE, Gubbins KE. The Nitric Oxide Dimer Reaction in Carbon Nano-Pores. The Journal of Physical Chemistry. B. PMID 29241009 DOI: 10.1021/Acs.Jpcb.7B10876  0.83
2017 Srivastava D, Santiso E, Gubbins KE. Pressure Enhancement in Confined Fluids: Effect of Molecular Shape and Fluid-Wall Interactions. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 28910534 DOI: 10.1021/Acs.Langmuir.7B02260  0.825
2017 Srivastava D, Santiso E, Gubbins KE, Barroso da Silva FL. Computationally mapping pKa shifts due to the presence of a polyelectrolyte chain around whey proteins. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 28859478 DOI: 10.1021/Acs.Langmuir.7B02271  0.766
2017 An R, Huang L, Mineart KP, Dong Y, Spontak RJ, Gubbins KE. Adhesion and friction in polymer films on solid substrates: conformal sites analysis and corresponding surface measurements. Soft Matter. PMID 28422244 DOI: 10.1039/C7Sm00261K  0.491
2017 Jain SK, Pellenq RJ, Gubbins KE, Peng X. Molecular Modeling and Adsorption Properties of Ordered Silica Templated CMK Mesoporous Carbons. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 28165248 DOI: 10.1021/Acs.Langmuir.6B04169  0.65
2017 Addington CK, Mansell JM, Gubbins KE. Computer simulation of conductive linear sulfur chains confined in carbon nanotubes Molecular Simulation. 43: 519-525. DOI: 10.1080/08927022.2016.1269259  0.824
2016 Cattes SM, Gubbins KE, Schoen M. Mean-field density functional theory of a nanoconfined classical, three-dimensional Heisenberg fluid. I. The role of molecular anchoring. The Journal of Chemical Physics. 144: 194704. PMID 27208962 DOI: 10.1063/1.4949330  0.402
2016 Hu Y, Huang L, Zhao S, Liu H, Gubbins KE. Effect of confinement in nano-porous materials on the solubility of a supercritical gas Molecular Physics. 114: 3294-3306. DOI: 10.1080/00268976.2016.1229871  0.605
2016 Domin K, Chan K, Yung H, Gubbins KE, Jarek M, Sterczynska A, Sliwinska-Bartkowiak M. Structure of Ice in Confinement: Water in Mesoporous Carbons Journal of Chemical & Engineering Data. 61: 4252-4260. DOI: 10.1021/Acs.Jced.6B00607  0.55
2015 An R, Huang L, Long Y, Kalanyan B, Lu X, Gubbins K. Liquid-Solid Nano-friction and Interfacial Wetting. Langmuir : the Acs Journal of Surfaces and Colloids. PMID 26716469 DOI: 10.1021/Acs.Langmuir.5B04115  0.627
2015 Huang L, Gubbins KE. Ammonia Dissociation on Graphene Oxide: An Ab Initio Density Functional Theory Calculation Zeitschrift Fur Physikalische Chemie. 229: 1211-1223. DOI: 10.1515/Zpch-2014-0621  0.506
2015 Sliwinska-Bartkowiak M, Jazdzewska M, Trafas M, Kaczmarek-Klinowska M, Gubbins KE. Melting of Eutectic Mixtures in Silica and Carbon Nanopores Journal of Chemical & Engineering Data. 60: 3093-3100. DOI: 10.1021/Acs.Jced.5B00131  0.418
2015 Gubbins KE. Perturbation theories of the thermodynamics of polar and associating liquids: A historical perspective Fluid Phase Equilibria. DOI: 10.1016/J.Fluid.2015.12.043  0.324
2014 Huang L, Gubbins KE, Li L, Lu X. Water on titanium dioxide surface: a revisiting by reactive molecular dynamics simulations. Langmuir : the Acs Journal of Surfaces and Colloids. 30: 14832-40. PMID 25423593 DOI: 10.1021/La5037426  0.516
2014 Coasne B, Long Y, Gubbins KE. Pressure effects in confined nanophases Molecular Simulation. 40: 721-730. DOI: 10.1080/08927022.2013.829227  0.599
2014 Śliwińska-Bartkowiak M, Sterczyńska A, Long Y, Gubbins K. Influence of microroughness on the wetting properties of nano-porous silica matrices Molecular Physics. 112: 2365-2371. DOI: 10.1080/00268976.2014.935820  0.525
2014 Gubbins KE, Long Y, Śliwinska-Bartkowiak M. Thermodynamics of confined nano-phases The Journal of Chemical Thermodynamics. 74: 169-183. DOI: 10.1016/J.Jct.2014.01.024  0.636
2013 Huang L, Seredych M, Bandosz TJ, van Duin AC, Lu X, Gubbins KE. Controllable atomistic graphene oxide model and its application in hydrogen sulfide removal. The Journal of Chemical Physics. 139: 194707. PMID 24320344 DOI: 10.1063/1.4832039  0.554
2013 Long Y, Palmer JC, Coasne B, ?liwinska-Bartkowiak M, Jackson G, Müller EA, Gubbins KE. On the molecular origin of high-pressure effects in nanoconfinement: the role of surface chemistry and roughness. The Journal of Chemical Physics. 139: 144701. PMID 24116635 DOI: 10.1063/1.4824125  0.83
2013 Diallo SO, Ja?d?ewska M, Palmer JC, Mamontov E, Gubbins KE, ?liwi?ska-Bartkowiak M. Dynamics of nanoconfined water under pressure. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 88: 022316. PMID 24032841 DOI: 10.1103/Physreve.88.022316  0.676
2013 Huang L, Bandosz T, Joshi KL, van Duin AC, Gubbins KE. Reactive adsorption of ammonia and ammonia/water on CuBTC metal-organic framework: a ReaxFF molecular dynamics simulation. The Journal of Chemical Physics. 138: 034102. PMID 23343263 DOI: 10.1063/1.4774332  0.531
2013 Diallo SO, Jazdzewska M, Palmer JC, Mamontov E, Gubbins KE, Śliwińska-Bartkowiak M. Dynamics of nanoconfined water under pressure Physical Review E - Statistical, Nonlinear, and Soft Matter Physics. 88. DOI: 10.1103/PhysRevE.88.022316  0.595
2013 Gubbins KE. The theory of non-electrolyte solutions: An historical review Molecular Physics. 111: 3666-3697. DOI: 10.1080/00268976.2013.831140  0.339
2013 Long Y, Śliwińska-Bartkowiak M, Drozdowski H, Kempiński M, Phillips KA, Palmer JC, Gubbins KE. High pressure effect in nanoporous carbon materials: Effects of pore geometry Colloids and Surfaces a: Physicochemical and Engineering Aspects. 437: 33-43. DOI: 10.1016/J.Colsurfa.2012.11.024  0.833
2012 Greschek M, Gubbins KE, Schoen M. Imprinting substrate structures onto a nematic liquid crystal. The Journal of Chemical Physics. 137: 144703. PMID 23061857 DOI: 10.1063/1.4757391  0.33
2012 Huang L, Joshi KL, van Duin AC, Bandosz TJ, Gubbins KE. ReaxFF molecular dynamics simulation of thermal stability of a Cu3(BTC)2 metal-organic framework. Physical Chemistry Chemical Physics : Pccp. 14: 11327-32. PMID 22796865 DOI: 10.1039/C2Cp41511A  0.477
2012 Wei MJ, Zhang L, Lu L, Zhu Y, Gubbins KE, Lu X. Molecular behavior of water in TiO2 nano-slits with varying coverages of carbon: a molecular dynamics simulation study. Physical Chemistry Chemical Physics : Pccp. 14: 16536-43. PMID 22739402 DOI: 10.1039/C2Cp40687J  0.398
2012 Śliwińska-Bartkowiak M, Drozdowski H, Kempiński M, Jażdżewska M, Long Y, Palmer JC, Gubbins KE. Structural analysis of water and carbon tetrachloride adsorbed in activated carbon fibres. Physical Chemistry Chemical Physics : Pccp. 14: 7145-53. PMID 22491317 DOI: 10.1039/C2Cp22111J  0.767
2012 Miao M, Liu Y, Wang Q, Wu T, Huang L, Gubbins KE, Nardelli MB. Activation of water on the TiO2 (110) surface: the case of Ti adatoms. The Journal of Chemical Physics. 136: 064703. PMID 22360211 DOI: 10.1063/1.3682781  0.493
2012 Phillips KA, Palmer JC, Gubbins KE. Analysis of the solvation structure of rubidium bromide under nanoconfinement Molecular Simulation. 38: 1209-1220. DOI: 10.1080/08927022.2012.713484  0.791
2012 Palmer JC, Gubbins KE. Atomistic models for disordered nanoporous carbons using reactive force fields Microporous and Mesoporous Materials. 154: 24-37. DOI: 10.1016/J.Micromeso.2011.08.017  0.676
2012 Long Y, Palmer JC, Coasne B, Śliwinska-Bartkowiak M, Gubbins KE. Under pressure: Quasi-high pressure effects in nanopores Microporous and Mesoporous Materials. 154: 19-23. DOI: 10.1016/J.Micromeso.2011.07.017  0.742
2011 Petit C, Huang L, Jagiello J, Kenvin J, Gubbins KE, Bandosz TJ. Toward understanding reactive adsorption of ammonia on Cu-MOF/graphite oxide nanocomposites. Langmuir : the Acs Journal of Surfaces and Colloids. 27: 13043-51. PMID 21970728 DOI: 10.1021/La202924Y  0.566
2011 Long Y, Palmer JC, Coasne B, Śliwinska-Bartkowiak M, Gubbins KE. Pressure enhancement in carbon nanopores: a major confinement effect. Physical Chemistry Chemical Physics : Pccp. 13: 17163-70. PMID 21879057 DOI: 10.1039/C1Cp21407A  0.741
2011 Jazdzewska M, Sliwinska-Bartkowiak MM, Beskrovnyy AI, Vasilovskiy SG, Ting SW, Chan KY, Huang L, Gubbins KE. Novel ice structures in carbon nanopores: pressure enhancement effect of confinement. Physical Chemistry Chemical Physics : Pccp. 13: 9008-13. PMID 21451863 DOI: 10.1039/C0Cp02797A  0.687
2011 Palmer JC, Moore JD, Roussel TJ, Brennan JK, Gubbins KE. Adsorptive behavior of CO2, CH4 and their mixtures in carbon nanospace: a molecular simulation study. Physical Chemistry Chemical Physics : Pccp. 13: 3985-96. PMID 21234499 DOI: 10.1039/C0Cp02281K  0.833
2011 Coasne B, Alba-Simionesco C, Audonnet F, Dosseh G, Gubbins KE. Adsorption, structure and dynamics of benzene in ordered and disordered porous carbons. Physical Chemistry Chemical Physics : Pccp. 13: 3748-57. PMID 21173972 DOI: 10.1039/C0Cp02205E  0.452
2011 Gubbins KE, Liu YC, Moore JD, Palmer JC. The role of molecular modeling in confined systems: impact and prospects. Physical Chemistry Chemical Physics : Pccp. 13: 58-85. PMID 21116563 DOI: 10.1039/C0Cp01475C  0.808
2011 Palmer JC, Moore JD, Brennan JK, Gubbins KE. Simulating local adsorption isotherms in structurally complex porous materials: A direct assessment of the slit pore model Journal of Physical Chemistry Letters. 2: 165-169. DOI: 10.1021/Jz1015668  0.82
2011 Palmer JC, Moore JD, Brennan JK, Gubbins KE. Adsorption and diffusion of argon in disordered nanoporous carbons Adsorption. 17: 189-199. DOI: 10.1007/S10450-010-9308-0  0.819
2010 Chen Q, Moore JD, Liu YC, Roussel TJ, Wang Q, Wu T, Gubbins KE. Transition from single-file to Fickian diffusion for binary mixtures in single-walled carbon nanotubes. The Journal of Chemical Physics. 133: 094501. PMID 20831318 DOI: 10.1063/1.3469811  0.713
2010 Coasne B, Czwartos J, Sliwinska-Bartkowiak M, Gubbins KE. Freezing of mixtures confined in silica nanopores: experiment and molecular simulation. The Journal of Chemical Physics. 133: 084701. PMID 20815584 DOI: 10.1063/1.3464279  0.419
2010 Liu Y, Huang L, Gubbins KE, Buongiorno Nardelli M. Dissociation of water over Ti-decorated C60. The Journal of Chemical Physics. 133: 084510. PMID 20815583 DOI: 10.1063/1.3469813  0.489
2010 Liu YC, Moore JD, Roussel TJ, Gubbins KE. Dual diffusion mechanism of argon confined in single-walled carbon nanotube bundles. Physical Chemistry Chemical Physics : Pccp. 12: 6632-40. PMID 20422115 DOI: 10.1039/B927152J  0.737
2010 Ratajczak B, Sliwinska-Bartkowiak M, Koziol T, Coasne B, Gubbins KE. An apparent critical point in binary mixtures of nitrotoluene with alkanes: Experimental and simulation study Journal of Computational Methods in Sciences and Engineering. 10: 575-586. DOI: 10.3233/Jcm-2010-0327  0.36
2010 Sliwinska-Bartkowiak M, Jazdzewska M, Gubbins KE, Huang L. Melting Behavior of Bromobenzene within Carbon Nanotubes† Journal of Chemical & Engineering Data. 55: 4183-4189. DOI: 10.1021/Je1002576  0.581
2010 Gubbins KE, Moore JD. Molecular modeling of matter: Impact and prospects in engineering Industrial and Engineering Chemistry Research. 49: 3026-3046. DOI: 10.1021/Ie901909C  0.65
2010 Palmer JC, Llobet A, Yeon SH, Fischer JE, Shi Y, Gogotsi Y, Gubbins KE. Modeling the structural evolution of carbide-derived carbons using quenched molecular dynamics Carbon. 48: 1116-1123. DOI: 10.1016/J.Carbon.2009.11.033  0.694
2010 Moore JD, Palmer JC, Liu YC, Roussel TJ, Brennan JK, Gubbins KE. Adsorption and diffusion of argon confined in ordered and disordered microporous carbons Applied Surface Science. 256: 5131-5136. DOI: 10.1016/J.Apsusc.2009.12.071  0.807
2009 Coasne B, Alba-Simionesco C, Audonnet F, Dosseh G, Gubbins KE. Adsorption and structure of benzene on silica surfaces and in nanopores. Langmuir : the Acs Journal of Surfaces and Colloids. 25: 10648-59. PMID 19670890 DOI: 10.1021/La900984Z  0.395
2009 Coasne B, Czwartos J, Sliwinska-Bartkowiak M, Gubbins KE. Effect of pressure on the freezing of pure fluids and mixtures confined in nanopores. The Journal of Physical Chemistry. B. 113: 13874-81. PMID 19627116 DOI: 10.1021/Jp9031699  0.431
2009 Chen Q, Wang Q, Liu YC, Wu T, Kang Y, Moore JD, Gubbins KE. Energetics investigation on encapsulation of protein/peptide drugs in carbon nanotubes. The Journal of Chemical Physics. 131: 015101. PMID 19586122 DOI: 10.1063/1.3148025  0.682
2009 Huang L, Rocca D, Baroni S, Gubbins KE, Nardelli MB. Molecular design of photoactive acenes for organic photovoltaics. The Journal of Chemical Physics. 130: 194701. PMID 19466849 DOI: 10.1063/1.3133361  0.482
2009 Roussel T, Bichara C, Gubbins KE, Pellenq RJ. Hydrogen storage enhanced in Li-doped carbon replica of zeolites: a possible route to achieve fuel cell demand. The Journal of Chemical Physics. 130: 174717. PMID 19425808 DOI: 10.1063/1.3122382  0.431
2009 Bhattacharya S, Coasne B, Hung FR, Gubbins KE. Modeling micelle-templated mesoporous material SBA-15: atomistic model and gas adsorption studies. Langmuir : the Acs Journal of Surfaces and Colloids. 25: 5802-13. PMID 19099416 DOI: 10.1021/La801560E  0.782
2009 Czwartos J, Sliwinska-Bartkowiak M, Coasne B, Gubbins KE. Melting of mixtures in silica nanopores Pure and Applied Chemistry. 81: 1953-1959. DOI: 10.1351/Pac-Con-09-01-15  0.357
2009 Palmer JC, Brennan JK, Hurley MM, Balboa A, Gubbins KE. Detailed structural models for activated carbons from molecular simulation Carbon. 47: 2904-2913. DOI: 10.1016/J.Carbon.2009.06.037  0.782
2008 Sliwinska-Bartkowiak M, Jazdzewska M, Huang LL, Gubbins KE. Melting behavior of water in cylindrical pores: carbon nanotubes and silica glasses. Physical Chemistry Chemical Physics : Pccp. 10: 4909-19. PMID 18688535 DOI: 10.1039/B808246D  0.573
2008 Huang L, Santiso EE, Nardelli MB, Gubbins KE. Catalytic role of carbons in methane decomposition for CO- and CO2-free hydrogen generation. The Journal of Chemical Physics. 128: 214702. PMID 18537442 DOI: 10.1063/1.2931456  0.788
2008 Shao Q, Huang L, Zhou J, Lu L, Zhang L, Lu X, Jiang S, Gubbins KE, Shen W. Molecular simulation study of temperature effect on ionic hydration in carbon nanotubes. Physical Chemistry Chemical Physics : Pccp. 10: 1896-906. PMID 18368182 DOI: 10.1039/B719033F  0.663
2008 Santiso EE, Buongiorno Nardelli M, Gubbins KE. A remarkable shape-catalytic effect of confinement on the rotational isomerization of small hydrocarbons. The Journal of Chemical Physics. 128: 034704. PMID 18205515 DOI: 10.1063/1.2819238  0.791
2008 Liu Y, Shen J, Gubbins KE, Moore JD, Wu T, Wang Q. Diffusion dynamics of water controlled by topology of potential energy surface inside carbon nanotubes Physical Review B. 77. DOI: 10.1103/Physrevb.77.125438  0.709
2008 Heath Turner C, Brennan JK, Lísal M, Smith WR, Karl Johnson J, Gubbins KE. Simulation of chemical reaction equilibria by the reaction ensemble Monte Carlo method: a review† Molecular Simulation. 34: 119-146. DOI: 10.1080/08927020801986564  0.617
2008 Lísal M, Cosoli P, Smith WR, Jain SK, Gubbins KE. Molecular-level simulations of chemical reaction equilibrium for nitric oxide dimerization reaction in disordered nanoporous carbons Fluid Phase Equilibria. 272: 18-31. DOI: 10.1016/J.Fluid.2008.07.015  0.649
2008 Bock H, Gubbins KE, Pikunic J. Models of porous carbons Adsorption by Carbons. 103-132. DOI: 10.1016/B978-008044464-2.50009-2  0.772
2008 Santiso EE, Nardelli MB, Gubbins KE. Isomerization kinetics of small hydrocarbons in confinement Adsorption. 14: 181-188. DOI: 10.1007/S10450-007-9075-8  0.782
2007 Jain SK, Gubbins KE. Ring connectivity: measuring network connectivity in network covalent solids. Langmuir : the Acs Journal of Surfaces and Colloids. 23: 1123-30. PMID 17241022 DOI: 10.1021/La0534017  0.533
2007 Coasne B, Jain SK, Gubbins KE. Adsorption and dynamics of argon in porous carbons European Physical Journal: Special Topics. 141: 121-125. DOI: 10.1140/Epjst/E2007-00028-8  0.639
2007 Coasne B, Jain SK, Gubbins KE. Erratum: Freezing of Fluids Confined in a Disordered Nanoporous Structure [Phys. Rev. Lett.97, 105702 (2006)] Physical Review Letters. 98. DOI: 10.1103/Physrevlett.98.109902  0.526
2007 Coasne B, Jain SK, Naamar L, Gubbins KE. Freezing of argon in ordered and disordered porous carbon Physical Review B. 76. DOI: 10.1103/Physrevb.76.085416  0.626
2007 Dietsch O, Eltekov A, Bock H, Gubbins KE, Findenegg GH. Crossover from normal to inverse temperature dependence in the adsorption of nonionic surfactants at hydrophilic surfaces and pore walls Journal of Physical Chemistry C. 111: 16045-16054. DOI: 10.1021/Jp0747656  0.394
2007 Shao Q, Huang L, Zhou J, Lu L, Zhang L, Lu X, Jiang S, Gubbins KE, Zhu Y, Shen W. Molecular Dynamics Study on Diameter Effect in Structure of Ethanol Molecules Confined in Single-Walled Carbon Nanotubes† The Journal of Physical Chemistry C. 111: 15677-15685. DOI: 10.1021/Jp0736140  0.662
2007 Bock H, Gubbins KE, Schoen M. Anisotropic self-diffusion in nanofluidic structures Journal of Physical Chemistry C. 111: 15493-15504. DOI: 10.1021/Jp071861Y  0.405
2007 Coasne B, Czwartos J, Gubbins KE, Hung FR, Sliwinska-Bartkowiak M. Confinement effects on freezing of binary mixtures Studies in Surface Science and Catalysis. 160: 667-674. DOI: 10.1016/S0167-2991(07)80086-3  0.451
2007 Bhattacharya S, Coasne B, Hung FR, Gubbins KE. Modeling Triblock Surfactant Templated Mesoporous Silicas (MCF and SBA-15): A Mimetic Simulation Study Studies in Surface Science and Catalysis. 160: 527-534. DOI: 10.1016/S0167-2991(07)80068-1  0.752
2007 Jain SK, Fuhr J, Pellenq RJ, Pikunic JP, Bichara C, Gubbins KE. Stability of porous carbon structures obtained from reverse monte carlo using tight binding and bond order hamiltonians Studies in Surface Science and Catalysis. 160: 169-176. DOI: 10.1016/S0167-2991(07)80023-1  0.815
2007 Ratajczak B, Śliwińska-Bartkowiak M, Coasne B, Gubbins KE. An apparent critical point in binary mixtures of m-nitrotoluene with n-alkanes; experimental and simulation study Journal of Non-Crystalline Solids. 353: 4565-4569. DOI: 10.1016/J.Jnoncrysol.2007.01.090  0.342
2007 Santiso EE, Kostov MK, George AM, Nardelli MB, Gubbins KE. Confinement effects on chemical reactions-Toward an integrated rational catalyst design Applied Surface Science. 253: 5570-5579. DOI: 10.1016/J.Apsusc.2006.12.121  0.772
2007 Coasne B, Alba-Simionesco C, Audonnet F, Dosseh G, Gubbins KE. Molecular simulation of the adsorption and structure of benzene confined in mesoporous silicas Adsorption. 13: 485-490. DOI: 10.1007/S10450-007-9051-3  0.402
2007 Hung FR, Bhattacharya S, Coasne B, Thommes M, Gubbins KE. Argon and krypton adsorption on templated mesoporous silicas: Molecular simulation and experiment Adsorption. 13: 425-437. DOI: 10.1007/S10450-007-9034-4  0.771
2006 Alba-Simionesco C, Coasne B, Dosseh G, Dudziak G, Gubbins KE, Radhakrishnan R, Sliwinska-Bartkowiak M. Effects of confinement on freezing and melting. Journal of Physics. Condensed Matter : An Institute of Physics Journal. 18: R15-68. PMID 21697556 DOI: 10.1088/0953-8984/18/6/R01  0.618
2006 Jain SK, Pellenq RJ, Pikunic JP, Gubbins KE. Molecular modeling of porous carbons using the hybrid reverse Monte Carlo method. Langmuir : the Acs Journal of Surfaces and Colloids. 22: 9942-8. PMID 17106983 DOI: 10.1021/La053402Z  0.819
2006 Coasne B, Jain SK, Gubbins KE. Freezing of fluids confined in a disordered nanoporous structure. Physical Review Letters. 97: 105702. PMID 17025829 DOI: 10.1103/Physrevlett.97.105702  0.584
2006 Santiso EE, George AM, Gubbins KE, Buongiorno Nardelli M. Effect of confinement by porous carbons on the unimolecular decomposition of formaldehyde. The Journal of Chemical Physics. 125: 084711. PMID 16965043 DOI: 10.1063/1.2220566  0.8
2006 Bhattacharya S, Gubbins KE. Fast method for computing pore size distributions of model materials. Langmuir : the Acs Journal of Surfaces and Colloids. 22: 7726-31. PMID 16922556 DOI: 10.1021/La052651K  0.566
2006 Striolo A, Chialvo AA, Cummings PT, Gubbins KE. Simulated water adsorption in chemically heterogeneous carbon nanotubes. The Journal of Chemical Physics. 124: 74710. PMID 16497073 DOI: 10.1063/1.2171349  0.653
2006 Silbermann JR, Klapp SH, Schoen M, Chennamsetty N, Bock H, Gubbins KE. Mesoscale modeling of complex binary fluid mixtures: towards an atomistic foundation of effective potentials. The Journal of Chemical Physics. 124: 74105. PMID 16497028 DOI: 10.1063/1.2161207  0.714
2006 Coasne B, Hung FR, Pellenq RJ, Siperstein FR, Gubbins KE. Adsorption of simple gases in MCM-41 materials: the role of surface roughness. Langmuir : the Acs Journal of Surfaces and Colloids. 22: 194-202. PMID 16378420 DOI: 10.1021/La051676G  0.688
2006 Coasne B, Gubbins KE, Hung FR, Jain SK. Adsorption and structure of argon in activated porous carbons Molecular Simulation. 32: 557-566. DOI: 10.1080/08927020600675707  0.788
2006 Nguyen TX, Bhatia SK, Jain SK, Gubbins KE. Structure of saccharose-based carbon and transport of confined fluids: hybrid reverse Monte Carlo reconstruction and simulation studies Molecular Simulation. 32: 567-577. DOI: 10.1080/08927020600675699  0.616
2006 Coasne B, Jain SK, Gubbins KE. Adsorption, structure and dynamics of fluids in ordered and disordered models of porous carbons Molecular Physics. 104: 3491-3499. DOI: 10.1080/00268970601012736  0.636
2006 Coasne B, Hung FR, Pellenq RJM, Siperstein FR, Gubbins KE. Adsorption of simple gases in MCM-41 materials: The role of surface roughness Langmuir. 22: 194-202. DOI: 10.1021/la051676g  0.622
2006 Hung FR, Coasne B, Gubbins KE, Siperstein FR, Thommes M, Sliwinska-Bartkowiak M. A Monte Carlo study of capillary condensation of krypton within realistic models of templated mesoporous silica materials Studies in Surface Science and Catalysis. 160: 153-160. DOI: 10.1016/S0167-2991(07)80021-8  0.731
2006 Jain SK, Gubbins KE, Pellenq RJM, Pikunic JP. Molecular modeling and adsorption properties of porous carbons Carbon. 44: 2445-2451. DOI: 10.1016/J.Carbon.2006.04.034  0.814
2005 Colina CM, Gubbins KE. Vapor-liquid and vapor-liquid-liquid equilibria of carbon dioxide/n-perfluoroalkane/n-alkane ternary mixtures. The Journal of Physical Chemistry. B. 109: 2899-910. PMID 16851303 DOI: 10.1021/Jp046612D  0.669
2005 Jazdzewska M, Hung FR, Gubbins KE, Sliwinska-Bartkowiak M. An experimental study of melting of CCl4 in carbon nanotubes. Physical Chemistry Chemical Physics : Pccp. 7: 3884-7. PMID 16358040 DOI: 10.1039/B510245F  0.701
2005 Bhattacharya S, Gubbins KE. Modeling triblock surfactant-templated mesostructured cellular foams. The Journal of Chemical Physics. 123: 134907. PMID 16223331 DOI: 10.1063/1.2013250  0.571
2005 Striolo A, Gubbins KE, Gruszkiewicz MS, Cole DR, Simonson JM, Chialvo AA, Cummings PT, Burchell TD, More KL. Effect of temperature on the adsorption of water in porous carbons. Langmuir : the Acs Journal of Surfaces and Colloids. 21: 9457-67. PMID 16207022 DOI: 10.1021/la051120t  0.633
2005 Kostov MK, Santiso EE, George AM, Gubbins KE, Nardelli MB. Dissociation of water on defective carbon substrates. Physical Review Letters. 95: 136105. PMID 16197155 DOI: 10.1103/Physrevlett.95.136105  0.757
2005 Pikunic J, Llewellyn P, Pellenq R, Gubbins KE. Argon and nitrogen adsorption in disordered nanoporous carbons: simulation and experiment. Langmuir : the Acs Journal of Surfaces and Colloids. 21: 4431-40. PMID 16032857 DOI: 10.1021/La047165W  0.821
2005 Striolo A, Chialvo AA, Gubbins KE, Cummings PT. Water in carbon nanotubes: adsorption isotherms and thermodynamic properties from molecular simulation. The Journal of Chemical Physics. 122: 234712. PMID 16008478 DOI: 10.1063/1.1924697  0.653
2005 Hung FR, Coasne B, Santiso EE, Gubbins KE, Siperstein FR, Sliwinska-Bartkowiak M. Molecular modeling of freezing of simple fluids confined within carbon nanotubes. The Journal of Chemical Physics. 122: 144706. PMID 15847552 DOI: 10.1063/1.1881072  0.842
2005 Chennamsetty N, Bock H, Scanu LF, Siperstein FR, Gubbins KE. Cosurfactant and cosolvent effects on surfactant self-assembly in supercritical carbon dioxide. The Journal of Chemical Physics. 122: 094710. PMID 15836165 DOI: 10.1063/1.1855291  0.699
2005 Coasne B, Hung FR, Siperstein FR, Gubbins KE. Molecular simulation of gas adsorption in realistic models of silica nanopores Annales De Chimie: Science Des Materiaux. 30: 375-383. DOI: 10.3166/Acsm.30.375-383  0.654
2005 Coasne B, Gubbins KE, Pellenq RJ-. Domain theory for capillary condensation hysteresis Physical Review B. 72: 24304. DOI: 10.1103/Physrevb.72.024304  0.447
2005 Chennamsetty N, Bock H, Gubbins KE. Coarse-grained potentials from widom's particle insertion method Aiche Annual Meeting, Conference Proceedings. 127. DOI: 10.1080/00268970500208658  0.724
2005 Czwartos J, Coasne B, Gubbins KE, Hung FR, Sliwinska-Bartkowiak M. Freezing and melting of azeotropic mixtures confined in nanopores: Experiment and molecular simulation Molecular Physics. 103: 3103-3113. DOI: 10.1080/00268970500200101  0.708
2005 Hung FR, Coasne B, Santiso EE, Gubbins KE, Siperstein FR, Sliwinska-Bartkowiak M. Molecular modeling of freezing of simple fluids confined within carbon nanotubes Journal of Chemical Physics. 122. DOI: 10.1063/1.1881072  0.818
2005 Hung FR, Gubbins KE, Radhakrishnan R, Szostak K, B́guin F, Dudziak G, Sliwinska-Bartkowiak M. Freezing/melting of Lennard-Jones fluids in carbon nanotubes Applied Physics Letters. 86: 1-3. DOI: 10.1063/1.1862786  0.774
2005 Bock H, Gubbins KE, Ayappa KG. Solid/solid phase transitions in confined thin films: A zero temperature approach Journal of Chemical Physics. 122. DOI: 10.1063/1.1856921  0.322
2005 Chennamsetty N, Bock H, Scanu LF, Siperstein FR, Gubbins KE. Cosurfactant and cosolvent effects on surfactant self-assembly in supercritical carbon dioxide Journal of Chemical Physics. 122. DOI: 10.1063/1.1855291  0.693
2005 Santiso EE, George AM, Turner CH, Kostov MK, Gubbins KE, Buongiorno-Nardelli M, Sliwinska-Bartkowiak M. Adsorption and catalysis: The effect of confinement on chemical reactions Applied Surface Science. 252: 766-777. DOI: 10.1016/J.Apsusc.2005.02.101  0.766
2005 Striolo A, Naicker PK, Chialvo AA, Cummings PT, Gubbins KE. Simulated water adsorption isotherms in hydrophilic and hydrophobic cylindrical nanopores Adsorption. 11: 397-401. DOI: 10.1007/S10450-005-5957-9  0.636
2005 Sliwinska-Bartkowiak M, Hung FR, Santiso EE, Coasne B, Dudziak G, Siperstein FR, Gubbins KE. Effect of confinement on freezing of CCl4 in cylindrical pores Adsorption. 11: 391-396. DOI: 10.1007/S10450-005-5956-X  0.826
2005 Jain SK, Pikunic JP, Pellenq RJM, Gubbins KE. Effects of activation on the structure and adsorption properties of a nanoporous carbon using molecular simulation Adsorption. 11: 355-360. DOI: 10.1007/S10450-005-5950-3  0.83
2005 Santiso EE, George AM, Sliwinska-Bartkowiak M, Nardelli MB, Gubbins KE. Effect of confinement on chemical reactions Adsorption. 11: 349-354. DOI: 10.1007/S10450-005-5949-9  0.79
2005 Striolo A, Gubbins KE, Chialvo AA, Cummings PT. The effect of pore connectivity on water adsorption isotherms in non-activated graphitic nanopores Adsorption. 11: 337-341. DOI: 10.1007/S10450-005-5947-Y  0.652
2005 Coasne B, Gubbins KE, Pellenq RJ. Temperature Effect on Adsorption/Desorption Isotherms for a Simple Fluid Confined within Various Nanopores Adsorption. 11: 289-294. DOI: 10.1007/S10450-005-5939-Y  0.382
2005 Coasne B, Hung FR, Gubbins KE. Development of realistic models of MCM-41 materials for gas adsorption studies Aiche Annual Meeting, Conference Proceedings. 10758.  0.691
2004 Scanu LF, Gubbins KE, Hall CK. Lattice Monte Carlo simulations of phase separation and micellization in supercritical CO2/surfactant systems: effect of CO2 density. Langmuir : the Acs Journal of Surfaces and Colloids. 20: 514-23. PMID 15743098 DOI: 10.1021/La0347760  0.399
2004 Brennan JK, Lísal M, Gubbins KE, Rice BM. Reaction ensemble molecular dynamics: direct simulation of the dynamic equilibrium properties of chemically reacting mixtures. Physical Review. E, Statistical, Nonlinear, and Soft Matter Physics. 70: 061103. PMID 15697337 DOI: 10.1103/Physreve.70.061103  0.613
2004 Striolo A, Colina CM, Gubbins KE, Elvassore N, Lue L. The depletion attraction between Pairs of colloid particles in polymer solution Molecular Simulation. 30: 437-499. DOI: 10.1080/0892702042000197649  0.703
2004 Santiso EE, Gubbins KE. Multi-scale molecular modeling of chemical reactivity Molecular Simulation. 30: 699-748. DOI: 10.1080/08927020412331294878  0.76
2004 Murad S, Gubbins KE. Jack Gordon Powles – A celebration of his 80th birthday Molecular Physics. 102: 1985-1987. DOI: 10.1080/00268970412331303972  0.467
2004 Coasne B, Czwartos J, Gubbins KE, Hung FR, Sliwinska-Bartkowiak M. Freezing and melting of binary mixtures confined in a nanopore Molecular Physics. 102: 2149-2163. DOI: 10.1080/00268970412331292678  0.684
2004 Hung FR, Dudziak G, Sliwinska-Bartkowiak M, Gubbins KE. Freezing/melting behaviour within carbon nanotubes Molecular Physics. 102: 223-234. DOI: 10.1080/00268970410001670090  0.72
2004 Striolo A, Gubbins KE, Chialvo AA, Cummings PT. Simulated water adsorption isotherms in carbon nanopores Molecular Physics. 102: 243-251. DOI: 10.1080/00268970410001668507  0.674
2004 Walker TA, Colina CM, Gubbins KE, Spontak RJ. Thermodynamics of Poly(dimethylsiloxane)/Poly(ethylmethylsiloxane) (PDMS/PEMS) Blends in the Presence of High-Pressure CO 2 Macromolecules. 37: 2588-2595. DOI: 10.1021/Ma034920O  0.643
2004 Colina CM, Galindo A, Blas FJ, Gubbins KE. Phase behavior of carbon dioxide mixtures with n-alkanes and n-perfluoroalkanes Fluid Phase Equilibria. 222: 77-85. DOI: 10.1016/J.Fluid.2004.06.021  0.66
2004 Coasne B, Gubbins K, Pellenq R. A Grand Canonical Monte Carlo Study of Adsorption and Capillary Phenomena in Nanopores of Various Morphologies and Topologies: Testing the BET and BJH Characterization Methods Particle & Particle Systems Characterization. 21: 149-160. DOI: 10.1002/Ppsc.200400928  0.418
2004 Hung FR, Gubbins KE, Franzen S. A graduate course on multi-scale modeling of soft matter Chemical Engineering Education. 38: 242-249.  0.597
2003 Pikunic J, Gubbins KE. Molecular dynamics simulations of simple fluids confined in realistic models of nanoporous carbons European Physical Journal E. 12: 35-40. PMID 15007677 DOI: 10.1140/Epje/I2003-10052-4  0.8
2003 Coasne B, Pikunic JP, Pellenq RJ-, Gubbins KE. Comparison between Adsorption in Pores of a Simple Geometry and Realistic Models of Porous Materials Mrs Proceedings. 790. DOI: 10.1557/Proc-790-P8.5  0.8
2003 Colina CM, Olivera-Fuentes CG, Siperstein FR, Lísal M, Gubbins KE. Thermal properties of supercritical carbon dioxide by Monte Carlo simulations Molecular Simulation. 29: 405-412. DOI: 10.1080/0892702031000117135  0.697
2003 Lísal M, Hall CK, Gubbins KE, Panagiotopoulos AZ. Formation of spherical micelles in a supercritical solvent: Lattice Monte Carlo simulation and multicomponent solution model Molecular Simulation. 29: 139-157. DOI: 10.1080/0892702031000065809  0.4
2003 Turner CH, Gubbins KE. Effects of supercritical clustering and selective confinement on reaction equilibrium: A molecular simulation study of the esterification reaction Journal of Chemical Physics. 119: 6057-6067. DOI: 10.1063/1.1602691  0.381
2003 Striolo A, Chialvo AA, Cummings PT, Gubbins KE. Water Adsorption in Carbon-Slit Nanopores Langmuir. 19: 8583-8591. DOI: 10.1021/La0347354  0.641
2003 Figueroa-Gerstenmaier S, Avalos JB, Gelb LD, Gubbins KE, Vega LF. Pore size distribution of porous glasses: A test of the independent pore model Langmuir. 19: 8592-8604. DOI: 10.1021/La034686V  0.682
2003 Pikunic J, Clinard C, Cohaut N, Gubbins KE, Guet J, Pellenq RJ, Rannou I, Rouzaud J. Structural Modeling of Porous Carbons:  Constrained Reverse Monte Carlo Method Langmuir. 19: 8565-8582. DOI: 10.1021/La034595Y  0.797
2003 Siperstein FR, Gubbins KE. Phase separation and liquid crystal self-assembly in surfactant-inorganic-solvent systems Langmuir. 19: 2049-2057. DOI: 10.1021/La026410D  0.311
2003 Colina CM, Gubbins KE. Choosing and evaluating equations of state for thermophysical properties Chemical Engineering Education. 37: 236-240.  0.574
2002 Radhakrishnan R, Gubbins KE, Sliwinska-Bartkowiak M. Existence of a hexatic phase in porous media. Physical Review Letters. 89: 076101. PMID 12190533 DOI: 10.1103/Physrevlett.89.076101  0.612
2002 Turner CH, Brennan JK, Johnson JK, Gubbins KE. Effect of confinement by porous materials on chemical reaction kinetics Journal of Chemical Physics. 116: 2138-2148. DOI: 10.1063/1.1431590  0.64
2002 Lísal M, Hall CK, Gubbins KE, Panagiotopoulos AZ. Self-assembly of surfactants in a supercritical solvent from lattice Monte Carlo simulations Journal of Chemical Physics. 116: 1171-1184. DOI: 10.1063/1.1428347  0.394
2002 Radhakrishnan R, Gubbins KE, Sliwinska-Bartkowiak M. Global phase diagrams for freezing in porous media Journal of Chemical Physics. 116: 1147-1155. DOI: 10.1063/1.1426412  0.615
2002 Brennan JK, Thomson KT, Gubbins KE. Adsorption of water in activated carbons: Effects of pore blocking and connectivity Langmuir. 18: 5438-5447. DOI: 10.1021/La0118560  0.803
2002 Gavalda S, Gubbins KE, Hanzawa Y, Kaneko K, Thomson KT. Nitrogen adsorption in carbon aerogels: A molecular simulation study Langmuir. 18: 2141-2151. DOI: 10.1021/La011132O  0.747
2002 Colina CM, Turrens LF, Gubbins KE, Olivera-Fuentes C, Vega LF. Predictions of the Joule-Thomson Inversion Curve for the n-Alkane Series and Carbon Dioxide from the Soft-SAFT Equation of State † Industrial & Engineering Chemistry Research. 41: 1069-1075. DOI: 10.1021/Ie010382X  0.64
2002 Colina CM, Lísal M, Siperstein FR, Gubbins KE. Accurate CO2 Joule-Thomson inversion curve by molecular simulations Fluid Phase Equilibria. 202: 253-262. DOI: 10.1016/S0378-3812(02)00126-7  0.685
2002 Colina CM, Hall CK, Gubbins KE. Phase behavior of PVAC-PTAN block copolymer in supercritical carbon dioxide using SAFT Fluid Phase Equilibria. 194: 553-565. DOI: 10.1016/S0378-3812(01)00789-0  0.672
2002 Lísal M, Hall CK, Gubbins KE, Panagiotopoulos AZ. Micellar behavior in supercritical solvent-surfactant systems from lattice Monte Carlo simulations Fluid Phase Equilibria. 194: 233-247. DOI: 10.1016/S0378-3812(01)00721-X  0.421
2002 Turner C, Brennan JK, Pikunic J, Gubbins KE. Simulation of chemical reaction equilibria and kinetics in heterogeneous carbon micropores Applied Surface Science. 196: 366-374. DOI: 10.1016/S0169-4332(02)00074-0  0.814
2002 Pikunic J, Gubbins K, Pellenq R, Cohaut N, Rannou I, Guet J, Clinard C, Rouzaud J. Realistic molecular models for saccharose-based carbons Applied Surface Science. 196: 98-104. DOI: 10.1016/S0169-4332(02)00039-9  0.809
2002 Pikunic J, Clinard C, Cohaut N, Gubbins KE, Guet J-, Pellenq RJ-, Rannou I, Rouzaud J-. Reconstruction Method for the Characterization of Porous Carbons Studies in Surface Science and Catalysis. 144. DOI: 10.1016/S0167-2991(02)80215-4  0.769
2002 Siperstein FR, Gubbins KE. Influence of synthesis conditions on surface heterogeneity of M41 type materials studied with lattice Monte Carlo Studies in Surface Science and Catalysis. 144: 647-654. DOI: 10.1016/S0167-2991(02)80192-6  0.426
2002 Sliwinska-Bartkowiak M, Dudziak G, Radhakrishnan R, Gubbins KE. Freezing in Mesopores: Aniline in Silica Glasses and MCM-41 Studies in Surface Science and Catalysis. 144: 467-474. DOI: 10.1016/S0167-2991(02)80169-0  0.551
2001 Travis KP, Gubbins KE. Computer simulation of isothermal mass transport in graphite slit pores Molecular Simulation. 27: 405-439. DOI: 10.1080/08927020108031361  0.401
2001 Siperstein FR, Gubbins KE. Synthesis and characterization of templated mesoporous materials using molecular simulation Molecular Simulation. 27: 339-352. DOI: 10.1080/08927020108031357  0.434
2001 Śliwinska-Bartkowiak M, Radhakrishnan R, Gubbins KE. Effect of confinement on melting in slit-shaped pores: Experimental and simulation study of aniline in activated carbon fibers Molecular Simulation. 27: 323-337. DOI: 10.1080/08927020108031356  0.564
2001 Turner CH, Pikunic J, Gubbins KE. Influence of chemical and physical surface heterogeneity on chemical reaction equilibria in carbon micropores Molecular Physics. 99: 1991-2001. DOI: 10.1080/00268970110087254  0.804
2001 Sliwinska-Bartkowiak M, Dudziak G, Sikorski R, Gras R, Radhakrishnan R, Gubbins KE. Melting/freezing behavior of a fluid confined in porous glasses and MCM-41: Dielectric spectroscopy and molecular simulation Journal of Chemical Physics. 114: 950-962. DOI: 10.1063/1.1329343  0.636
2001 Turner CH, Johnson JK, Gubbins KE. Effect of confinement on chemical reaction equilibria: The reactions 2NO⇔(NO)2 and N2+3H2⇔2NH3 in carbon micropores Journal of Chemical Physics. 114: 1851-1859. DOI: 10.1063/1.1328756  0.443
2001 Sliwinska-Bartkowiak M, Dudziak G, Sikorski R, Gras R, Gubbins KE, Radhakrishnan R. Dielectric studies of freezing behavior in porous materials: Water and methanol in activated carbon fibres Physical Chemistry Chemical Physics. 3: 1179-1184. DOI: 10.1039/B009792F  0.629
2001 Müller EA, Gubbins KE. Molecular-based equations of state for associating fluids: A review of SAFT and related approaches Industrial and Engineering Chemistry Research. 40: 2193-2211. DOI: 10.1021/Ie000773W  0.56
2001 Brennan JK, Bandosz TJ, Thomson KT, Gubbins KE. Water in porous carbons Colloids and Surfaces a: Physicochemical and Engineering Aspects. 187: 539-568. DOI: 10.1016/S0927-7757(01)00644-6  0.8
2001 Gavalda S, Kaneko K, Thomson KT, Gubbins KE. Molecular modeling of carbon aerogels Colloids and Surfaces a: Physicochemical and Engineering Aspects. 187: 531-538. DOI: 10.1016/S0927-7757(01)00641-0  0.723
2001 Sliwinska-Bartkowiak M, Dudziak G, Gras R, Sikorski R, Radhakrishnan R, Gubbins KE. Freezing behavior in porous glasses and MCM-41 Colloids and Surfaces a: Physicochemical and Engineering Aspects. 187: 523-529. DOI: 10.1016/S0927-7757(01)00637-9  0.59
2001 Pikunic J, Pellenq RJM, Thomson KT, Rouzaud JN, Levitz P, Gubbins KE. Improved molecular models for porous carbons Studies in Surface Science and Catalysis. 132: 647-652. DOI: 10.1016/S0167-2991(01)82174-1  0.808
2001 Lastoskie CM, Gubbins KE. Characterization of porous materials using molecular theory and simulation Advances in Chemical Engineering. 28: 203-250. DOI: 10.1016/S0065-2377(01)28007-7  0.684
2000 Travis KP, Gubbins KE. Combined diffusive and viscous transport of methane in a carbon slit pore Molecular Simulation. 25: 209-227. DOI: 10.1080/08927020008044126  0.399
2000 Radhakrishnan R, Gubbins KE, Sliwinska-Bartkowiak M. Effect of the fluid-wall interaction on freezing of confined fluids: Toward the development of a global phase diagram Journal of Chemical Physics. 112: 11048-11057. DOI: 10.1063/1.481745  0.576
2000 Travis KP, Gubbins KE. Poiseuille flow of Lennard-Jones fluids in narrow slit pores Journal of Chemical Physics. 112: 1984-1994. DOI: 10.1063/1.480758  0.351
2000 Shevade AV, Jiang S, Gubbins KE. Molecular simulation study of water-methanol mixtures in activated carbon pores Journal of Chemical Physics. 113: 6933-6942. DOI: 10.1063/1.1309012  0.607
2000 Thomson KT, Gubbins KE. Modeling structural morphology of microporous carbons by reverse Monte Carlo Langmuir. 16: 5761-5773. DOI: 10.1021/La991581C  0.724
2000 Müller EA, Hung FR, Gubbins KE. Adsorption of water vapor-methane mixtures on activated carbons Langmuir. 16: 5418-5424. DOI: 10.1021/La991312M  0.686
2000 Sliwinska–Bartkowiak M, Gras J, Sikorski R, Dudziak G, Radhakrishnan R, Gubbins KE. Experimental and simulation studies of melting and freezing in porous glasses Studies in Surface Science and Catalysis. 128: 141-150. DOI: 10.1016/S0167-2991(00)80017-8  0.574
2000 Gelb LD, Gubbins KE. Characterization of controlled pore glasses: Molecular simulations of adsorption Studies in Surface Science and Catalysis. 128: 61-69. DOI: 10.1016/S0167-2991(00)80009-9  0.692
2000 Lastoskie CM, Gubbins KE. Characterization of porous materials using density functional theory and molecular simulation Studies in Surface Science and Catalysis. 128: 41-50. DOI: 10.1016/S0167-2991(00)80007-5  0.685
2000 Miyahara M, Kanda H, Higashitani K, Gubbins KE. Molecular simulation study on freezing in nano-pores Studies in Surface Science and Catalysis. 128: 31-40. DOI: 10.1016/S0167-2991(00)80006-3  0.381
1999 Gelb LD, Gubbins KE, Radhakrishnan R, Sliwinska-Bartkowiak M. Phase separation in confined systems Reports On Progress in Physics. 62: 1573-1659. DOI: 10.1088/0034-4885/62/12/201  0.736
1999 Gelb LD, Gubbins KE. Correlation functions of adsorbed fluids in porous glass: A computer simulation study Molecular Physics. 96: 1795-1804. DOI: 10.1080/00268979909483123  0.68
1999 Radhakrishnan R, Gubbins KE. Free energy studies of freezing in slit pores: An order-parameter approach using Monte Carlo simulation Molecular Physics. 96: 1249-1267. DOI: 10.1080/00268979909483070  0.598
1999 SHEVADE AV, JIANG S, GUBBINS KE. Adsorption of water—methanol mixtures in carbon and aluminosilicate pores: a molecular simulation study Molecular Physics. 97: 1139-1148. DOI: 10.1080/00268979909482914  0.643
1999 McGrother SC, Gubbins KE. Constant pressure Gibbs ensemble Monte Carlo simulations of adsorption into narrow pores Molecular Physics. 97: 955-965. DOI: 10.1080/00268979909482897  0.495
1999 Radhakrishnan R, Gubbins KE, Watanabe A, Kaneko K. Freezing of simple fluids in microporous activated carbon fibers: Comparison of simulation and experiment Journal of Chemical Physics. 111: 9058-9067. DOI: 10.1063/1.480261  0.648
1999 Pozhar LA, Gubbins KE. Transport properties of inhomogeneous fluid mixtures International Journal of Thermophysics. 20: 805-813. DOI: 10.1023/A:1022622900429  0.325
1999 Travis KP, Gubbins KE. Transport diffusion of oxygen-nitrogen mixtures in graphite pores: a nonequilibrium molecular dynamics (NEMD) study Langmuir. 15: 6050-6059. DOI: 10.1021/La981465U  0.372
1999 Sliwinska-Bartkowiak M, Gras J, Sikorski R, Radhakrishnan R, Gelb LD, Gubbins KE. Phase Transitions in Pores: Experimental and Simulation Studies of Melting and Freezing† Langmuir. 15: 6060-6069. DOI: 10.1021/La9814642  0.633
1999 Suzuki T, Iiyama T, Gubbins KE, Kaneko K. Quasi-symmetry structure of CCl4 molecular assemblies in a graphitic nanopore: a grand canonical Monte Carlo simulation Langmuir. 15: 5870-5875. DOI: 10.1021/La980960N  0.36
1999 Gelb LD, Gubbins KE. Pore Size Distributions in Porous Glasses: A Computer Simulation Study Langmuir. 15: 305-308. DOI: 10.1021/La9808418  0.669
1999 McCallum CL, Bandosz TJ, McGrother SC, Muller EA, Gubbins KE. Molecular model for adsorption of water on activated carbon: Comparison of simulation and experiment Langmuir. 15: 533-544. DOI: 10.1021/La9805950  0.496
1999 Button JK, Gubbins KE. SAFT prediction of vapour-liquid equilibria of mixtures containing carbon dioxide and aqueous monoethanolamine or diethanolamine Fluid Phase Equilibria. 158: 175-181. DOI: 10.1016/S0378-3812(99)00150-8  0.419
1999 Figueroa SG, Blas FJ, Gubbins KE, Vega LF. Monte Carlo simulations of adsorption applied to process separation: a comparison with experimental results Computer Physics Communications. 638-638. DOI: 10.1016/S0010-4655(06)70043-1  0.395
1998 Kiyohara K, Gubbins KE, Panagiotopoulos AZ. Phase coexistence properties of polarizable water models Molecular Physics. 94: 803-808. DOI: 10.1080/002689798167638  0.396
1998 Blas FJ, Vega LF, Gubbins KE. Modeling new adsorbents for ethylene/ethane separations by adsorption via π-complexation Fluid Phase Equilibria. 150: 117-124. DOI: 10.1016/S0378-3812(98)00282-9  0.401
1998 Errington JR, Kiyohara K, Gubbins KE, Panagiotopoulos AZ. Monte Carlo simulation of high-pressure phase equilibria in aqueous systems Fluid Phase Equilibria. 150: 33-40. DOI: 10.1016/S0378-3812(98)00273-8  0.425
1998 Müller EA, Gubbins KE. Molecular simulation study of hydrophilic and hydrophobic behavior of activated carbon surfaces Carbon. 36: 1433-1438. DOI: 10.1016/S0008-6223(98)00135-3  0.602
1997 Bandosz TJ, Blas FJ, Gubbins KE, McCallum CL, McGrother SC, Sowers SL, Vega LF. Molecular Modeling of Selective Adsorption from Mixtures Mrs Proceedings. 497. DOI: 10.1557/Proc-497-231  0.448
1997 Radhakrishnan R, Gubbins KE. Quasi-one-dimensional phase transitions in nanopores: Pore-pore correlation effects Physical Review Letters. 79: 2847-2850. DOI: 10.1103/Physrevlett.79.2847  0.609
1997 Pozhar LA, Gubbins KE. Quasihydrodynamics of nanofluid mixtures Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics. 56: 5367-5396. DOI: 10.1103/Physreve.56.5367  0.326
1997 Gelb LD, Gubbins KE. Liquid-liquid phase separation in cylindrical pores: Quench molecular dynamics and Monte Carlo simulations Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics. 56: 3185-3196. DOI: 10.1103/Physreve.56.3185  0.672
1997 Gelb LD, Gubbins KE. Kinetics of liquid-liquid phase separation of a binary mixture in cylindrical pores Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics. 55. DOI: 10.1103/Physreve.55.R1290  0.655
1997 Maddox MW, Quirke N, Gubbins KE. A molecular simulation study of pore networking effects Molecular Simulation. 19: 267-283. DOI: 10.1080/08927029708024157  0.667
1997 Akhmatskaya E, Todd BD, Daivis PJ, Evans DJ, Gubbins KE, Pozhar LA. A study of viscosity inhomogeneity in porous media The Journal of Chemical Physics. 106: 4684-4695. DOI: 10.1063/1.473505  0.584
1997 Miyahara M, Gubbins KE. Freezing/melting phenomena for Lennard-Jones methane in slit pores: A Monte Carlo study Journal of Chemical Physics. 106: 2865-2880. DOI: 10.1063/1.473415  0.461
1997 Kiyohara K, Gubbins KE, Panagiotopoulos AZ. Phase coexistence properties of polarizable Stockmayer fluids Journal of Chemical Physics. 106: 3338-3347. DOI: 10.1063/1.473082  0.394
1997 Suzuki T, Kaneko K, Gubbins KE. Pore Width-Sensitive Filling Mechanism for CCl4 in a Graphitic Micropore by Computer Simulation Langmuir. 13: 2545-2549. DOI: 10.1021/La9620667  0.433
1997 Sliwinska-Bartkowiak M, Sowers SL, Gubbins KE. Liquid-Liquid Phase Equilibria in Porous Materials † Langmuir. 13: 1182-1188. DOI: 10.1021/La960004A  0.386
1997 Gelb LD, Gubbins KE. Studies of binary liquid mixtures in cylindrical pores: Phase separation, wetting and finite-size effects from Monte Carlo simulations Physica a: Statistical Mechanics and Its Applications. 244: 112-123. DOI: 10.1016/S0378-4371(97)00221-5  0.664
1997 Sliwinska-Bartkowiak M, Sikorski R, Sowers SL, Gelb LD, Gubbins KE. Phase separations for mixtures in well-characterized porous materials: Liquid–liquid transitions Fluid Phase Equilibria. 136: 93-109. DOI: 10.1016/S0378-3812(97)00108-8  0.443
1997 Lastoskie CM, Quirke N, Gubbins KE. Chapter 15. Structure of porous adsorbents: Analysis using density functional theory and molecular simulation Studies in Surface Science and Catalysis. 104: 745-775. DOI: 10.1016/S0167-2991(97)80078-X  0.813
1997 Lastoskie CM, Quirke N, Gubbins KE. Structure of porous adsorbents: Analysis using density functional theory and molecular simulation Studies in Surface Science and Catalysis. 104: 745-775.  0.728
1996 Gubbins KE. Molecular simulation of fluid phase equilibria and adsorption Revue De L'Institute Francais Du Petrole. 51: 59-72. DOI: 10.2516/Ogst:1996005  0.415
1996 Gubbins KE, Sliwinska-Bartkowiak M, Suh S. Molecular Simulations of Phase Transitions in Pores Molecular Simulation. 17: 333-367. DOI: 10.1080/08927029608024116  0.358
1996 Nicholson D, Gubbins KE. Separation of carbon dioxide-methane mixtures by adsorption: Effects of geometry and energetics on selectivity Journal of Chemical Physics. 104: 8126-8134. DOI: 10.1063/1.471527  0.43
1996 Müller EA, Rull LF, Vega LF, Gubbins KE. Adsorption of Water on Activated Carbons:  A Molecular Simulation Study The Journal of Physical Chemistry. 100: 1189-1196. DOI: 10.1021/Jp952233W  0.605
1996 Kraska T, Gubbins KE. Phase Equilibria Calculations with a Modified SAFT Equation of State. 2. Binary Mixtures of n-Alkanes, 1-Alkanols, and Water Industrial and Engineering Chemistry Research. 35: 4738-4746. DOI: 10.1021/Ie960233S  0.311
1996 Kraska T, Gubbins KE. Phase Equilibria Calculations with a Modified SAFT Equation of State. 1. Pure Alkanes, Alkanols, and Water Industrial and Engineering Chemistry Research. 35: 4727-4737. DOI: 10.1021/Ie9602320  0.331
1996 Button JK, Gubbins KE, Tanaka H, Nakanishi K. Molecular dynamics simulation of hydrogen bonding in monoethanolamine Fluid Phase Equilibria. 116: 320-325. DOI: 10.1016/0378-3812(95)02902-8  0.334
1996 Suzuki T, Kaneko K, Setoyama N, Maddox M, Gubbins K. Grand canonical Monte Carlo simulation for nitrogen adsorption in graphitic slit micropores: effect of interlayer distance Carbon. 34: 909-912. DOI: 10.1016/0008-6223(96)00049-8  0.437
1996 Vega LF, M�ller EA, Rull LF, Gubbins KE. Effect of surface active sites on adsorption of associating chain molecules in pores: A Monte Carlo study Adsorption. 2: 59-68. DOI: 10.1007/Bf00127099  0.415
1996 Maddox MW, Sowers SL, Gubbins KE. Molecular simulation of binary mixture adsorption in buckytubes and MCM-41 Adsorption. 2: 23-32. DOI: 10.1007/Bf00127095  0.493
1995 Percus JK, Pozhar LA, Gubbins KE. Local thermodynamics of inhomogeneous fluids at equilibrium. Physical Review E. 51: 261-265. PMID 9962641 DOI: 10.1103/Physreve.51.261  0.344
1995 Vega LF, Muller EA, Rull LF, Gubbins KE. Mixtures of Associating and Non-Associating Chains on Activated Surfaces: A Monte Carlo Approach Molecular Simulation. 15: 141-154. DOI: 10.1080/08927029508024051  0.579
1995 Jiang S, Gubbins KE. Vapour-liquid equilibria in two-dimensional lennard-jones fluids: Unperturbed and substrate-mediated aims Molecular Physics. 86: 599-612. DOI: 10.1080/00268979500102221  0.543
1995 Müller EA, Vega LF, Gubbins KE, Rull LF. Adsorption isotherms of associating chain molecules from monte carlo simulations Molecular Physics. 85: 9-21. DOI: 10.1080/00268979500100901  0.595
1995 Ulberg DE, Gubbins KE. Water adsorption in microporous graphitic carbons Molecular Physics. 84: 1139-1153. DOI: 10.1080/00268979500100801  0.417
1995 Góźdź W, Gubbins K, Panagiotopoulos A. Liquid-liquid phase transitions in pores Molecular Physics. 84: 825-834. DOI: 10.1080/00268979500100581  0.407
1995 Müller EA, Gubbins KE, Tsangaris DM, Pablo JJd. Comment on the accuracy of Wertheim’s theory of associating fluids Journal of Chemical Physics. 103: 3868-3869. DOI: 10.1063/1.470036  0.539
1995 Cracknell RF, Nicholson D, Gubbins KE. Molecular dynamics study of the self-diffusion of supercritical methane in slit-shaped graphitic micropores Journal of the Chemical Society, Faraday Transactions. 91: 1377-1383. DOI: 10.1039/Ft9959101377  0.357
1995 Sowers SL, Gubbins KE. Optimizing removal of trace components from nitrogen/X mixtures using adsorption: Theory and simulation Langmuir. 11: 4758-4764. DOI: 10.1021/La00012A029  0.489
1995 Maddox MW, Gubbins KE. Molecular Simulation of Fluid Adsorption in Buckytubes Langmuir. 11: 3988-3996. DOI: 10.1021/La00010A059  0.389
1995 Koh CA, Nooney RI, Maddox M, Gubbins KE. Spectroscopic and Simulation Studies of Adsorption and Removal of Hydrocarbons Using Novel Materials Industrial & Engineering Chemistry Research. 34: 4170-4173. DOI: 10.1021/Ie00039A004  0.615
1995 Müller EA, Gubbins KE. An equation of state for water from a simplified intermolecular potential Industrial &Amp; Engineering Chemistry Research. 34: 3662-3673. DOI: 10.1021/Ie00037A055  0.39
1995 Cracknell RF, Gubbins KE, Maddox M, Nicholson D. Modeling Fluid Behavior in Well-Characterized Porous Materials Accounts of Chemical Research. 28: 281-288. DOI: 10.1021/Ar00055A001  0.453
1995 Maddox M, Ulberg D, Gubbins KE. Molecular simulation of simple fluids and water in porous carbons Fluid Phase Equilibria. 104: 145-158. DOI: 10.1016/0378-3812(94)02645-H  0.492
1994 Koh CA, Muller EA, Zollweg JA, Gubbins KE, Savidge JL. Spectroscopic data on the kinetics of hydrate formation and decomposition Annals of the New York Academy of Sciences. 715: 561-563. DOI: 10.1111/J.1749-6632.1994.Tb38887.X  0.661
1994 Müller EA, Vega LF, Gubbins KE. Theory and simulation of associating fluids: Lennard-jones chains with association sites Molecular Physics. 83: 1209-1222. DOI: 10.1080/00268979400101881  0.565
1994 Johnson JK, Panagiotopoulos AZ, Gubbins KE. Reactive canonical monte carlo a new simulation technique for reacting or associating fluids Molecular Physics. 81: 717-733. DOI: 10.1080/00268979400100481  0.402
1994 Karl Johnson J, Müller EA, Gubbins KE. Equation of state for Leonard-Jones chains Journal of Physical Chemistry. 98: 6413-6419. DOI: 10.1021/J100076A028  0.37
1994 Jiang S, Zollweg JA, Gubbins KE. High-Pressure Adsorption of Methane and Ethane in Activated Carbon and Carbon Fibers The Journal of Physical Chemistry. 98: 5709-5713. DOI: 10.1021/J100073A023  0.641
1994 Jiang S, Gubbins KE, Balbuena PB. Theory of Adsorption of Trace Components The Journal of Physical Chemistry. 98: 2403-2411. DOI: 10.1021/J100060A030  0.597
1994 Koh CA, Zollweg JA, Gubbins KE. FT-infrared spectroscopic and molecular simulation studies of adsorption of simple gases, methanol and water on aluminophosphates Studies in Surface Science and Catalysis. 87: 61-70. DOI: 10.1016/S0167-2991(08)63065-7  0.596
1994 Lastoskie C, Gubbins KE, Quirke N. Pore Size Distribution Analysis and Networking: Studies of Microporous Sorbents Studies in Surface Science and Catalysis. 87: 51-60. DOI: 10.1016/S0167-2991(08)63064-5  0.808
1994 Balbuena PB, Gubbins KE. The effect of pore geometry on adsorption behavior Studies in Surface Science and Catalysis. 87: 41-50. DOI: 10.1016/S0167-2991(08)63063-3  0.409
1994 Kitao O, Gubbins KE. Theoretical studies on VPI-5. Origin of the hydrophilicity Chemical Physics Letters. 227: 545-550. DOI: 10.1016/0009-2614(94)00868-X  0.315
1994 Vega LF, Panagiotopoulos AZ, Gubbins KE. Chemical potentials and adsorption isotherms of polymers confined between parallel plates Chemical Engineering Science. 49: 2921-2929. DOI: 10.1016/0009-2509(94)E0110-C  0.358
1994 Maddox MW, Gubbins KE. Molecular simulation of fluid adsorption in buckytubes and MCM-41 International Journal of Thermophysics. 15: 1115-1123. DOI: 10.1007/Bf01458820  0.49
1994 Jiang S, Zollweg JA, Gubbins KE. High-pressure adsorption of methane and ethane in activated carbon and carbon fibers Journal of Physical Chemistry. 98: 5709-5713.  0.378
1994 Jiang S, Gubbins KE, Balbuena PB. Theory of adsorption of trace components Journal of Physical Chemistry. 98: 2403-2411.  0.306
1993 Gubbins KE. Molecular simulation of fluid phase equilibria Pure and Applied Chemistry. 65: 935-940. DOI: 10.1351/Pac199365050935  0.384
1993 Müller EA, Gubbins KE. Simulation of hard triatomic and tetratomic molecules a test of associating fluid theories Molecular Physics. 80: 957-976. DOI: 10.1080/00268979300102791  0.574
1993 Jiang S, Gubbins KE, Zollweg JA. Adsorption, isosteric heat and commensurate-incommensurate transition of methane on graphite Molecular Physics. 80: 103-116. DOI: 10.1080/00268979300102091  0.597
1993 Müller EA, Gubbins KE. Triplet correlation function for hard sphere systems Molecular Physics. 80: 91-101. DOI: 10.1080/00268979300102081  0.511
1993 Walsh JM, Gubbins KE. The liquid structure and thermodynamic properties of lennard-jones spheres with association sites Molecular Physics. 80: 65-89. DOI: 10.1080/00268979300102071  0.378
1993 Jiang S, Rhykerd CL, Gubbins KE. Layering, freezing transitions, capillary condensation and diffusion of methane in slit carbon pores Molecular Physics. 79: 373-391. DOI: 10.1080/00268979300101281  0.604
1993 Johnson JK, Zollweg JA, Gubbins KE. The lennard-jones equation of state revisited Molecular Physics. 78: 591-618. DOI: 10.1080/00268979300100411  0.426
1993 Pozhar LA, Gubbins KE. Transport theory of dense, strongly inhomogeneous fluids The Journal of Chemical Physics. 99: 8970-8996. DOI: 10.1063/1.465567  0.329
1993 Lastoskie C, Gubbins KE, Quirke N. Pore size heterogeneity and the carbon slit pore: A density functional theory model Langmuir. 9: 2693-2702. DOI: 10.1021/La00034A032  0.816
1993 Balbuena PB, Gubbins KE. Theoretical interpretation of adsorption behavior of simple fluids in slit pores Langmuir. 9: 1801-1814. DOI: 10.1021/La00031A031  0.371
1993 Lastoskie C, Gubbins KE, Quirke N. Pore size distribution analysis of microporous carbons: A density functional theory approach Journal of Physical Chemistry. 97: 4786-4796. DOI: 10.1021/J100120A035  0.792
1993 Balbuena PB, Berry D, Gubbins KE. Solvation pressures for simple fluids in micropores Journal of Physical Chemistry. 97: 937-943. DOI: 10.1021/J100106A021  0.442
1993 Cracknell RF, Gordon P, Gubbins KE. Influence of pore geometry on the design of microporous materials for methane storage Journal of Physical Chemistry. 97: 494-499. DOI: 10.1021/J100104A036  0.427
1993 Cracknell RF, Gubbins KE. Molecular simulation of adsorption and diffusion in VPI-5 and other aluminophosphates Langmuir. 9: 824-830. DOI: 10.1016/S0167-2991(08)63504-1  0.406
1993 Balbuena PB, Lastoskie C, Gubbins KE, Quirke N. Theoretical Interpretation and Classification of Adsorption Isotherms for Simple Fluids Studies in Surface Science and Catalysis. 80: 27-34. DOI: 10.1016/S0167-2991(08)63494-1  0.805
1993 Koh CA, Tanaka H, Walsh JM, Gubbins KE, Zollweg JA. Thermodynamic and structural properties of methanol-water mixtures: experiment, theory, and molecular simulation Fluid Phase Equilibria. 83: 51-58. DOI: 10.1016/0378-3812(93)87006-M  0.588
1993 Gubbins KE. Applications of molecular simulation Fluid Phase Equilibria. 83: 1-14. DOI: 10.1016/0378-3812(93)87001-H  0.408
1992 Jiang S, Gubbins KE. Computer Simulation Study of Adsorption, Isosteric Heat and Phase Transitions of Methane on Graphite Mrs Proceedings. 290. DOI: 10.1557/Proc-290-191  0.622
1992 Cracknell R, Koh CA, Thompson SM, Gubbins KE. Molecular Simulation of Adsorption of Simple Gases in Aluminophosphates and Pillared Clays Mrs Proceedings. 290. DOI: 10.1557/Proc-290-135  0.653
1992 De Miguel E, Rull LF, Gubbins KE. Dynamics of the Gay-Berne fluid Physical Review A. 45: 3813-3822. DOI: 10.1103/Physreva.45.3813  0.376
1992 Karl Johnson J, Gubbins KE. Phase equilibria for associating lennard-jones fluids from theory and simulation Molecular Physics. 77: 1033-1053. DOI: 10.1080/00268979200102981  0.387
1992 Vega C, Gubbins KE. Monte carlo study of quadrupolar kihara fluids Molecular Physics. 75: 881-895. DOI: 10.1080/00268979200100671  0.425
1992 Tanaka H, Gubbins KE. Structure and thermodynamic properties of water-methanol mixtures: Role of the water-water interaction The Journal of Chemical Physics. 97: 2626-2634. DOI: 10.1063/1.463051  0.32
1992 Walsh JM, Guedes HJR, Gubbins KE. Physical theory for fluids of small associating molecules The Journal of Physical Chemistry. 96: 10995-11004. DOI: 10.1021/J100205A071  0.331
1992 Tan Z, Gubbins KE. Selective adsorption of simple mixtures in slit pores: A model of Methane-Ethane mixtures in carbon The Journal of Physical Chemistry. 96: 845-854. DOI: 10.1021/J100181A059  0.443
1992 Walsh JM, Koh CA, Gubbins KE. Thermodynamics of fluids of small associating molecules Fluid Phase Equilibria. 76: 49-69. DOI: 10.1016/0378-3812(92)85077-L  0.545
1992 Balbuena PB, Gubbins KE. Classification of adsorption behavior: simple fluids in pores of slit-shaped geometry Fluid Phase Equilibria. 76: 21-35. DOI: 10.1016/0378-3812(92)85075-J  0.451
1992 Cracknell RF, Gubbins KE. Monte Carlo study of methane adsorption in aluminophosphates and porous carbons Journal of Molecular Liquids. 54: 261-271. DOI: 10.1016/0167-7322(92)80035-G  0.357
1991 Chalam MK, Gubbins KE, Miguel ED, Rull LF. A Molecular Simulation of A Liquid-crystal Model Molecular Simulation. 7: 357-385. DOI: 10.1080/08927029108022462  0.398
1991 Miguel ED, Rull LF, Chalam MK, Gubbins KE. Liquid crystal phase diagram of the Gay-Berne fluid Molecular Physics. 74: 405-424. DOI: 10.1080/00268979100102321  0.36
1991 Miguel Ed, Rull LF, Chalam MK, Gubbins KE, Swol FV. Location Of The Isotropic-Nematic Transition In The Gay-Berne Model Molecular Physics. 72: 593-605. DOI: 10.1080/00268979100100451  0.345
1991 Pozhar LA, Gubbins KE. Dense inhomogeneous fluids: Functional perturbation theory, the generalized Langevin equation, and kinetic theory The Journal of Chemical Physics. 94: 1367-1384. DOI: 10.1063/1.459994  0.312
1991 Dufty JW, Mo KC, Gubbins KE. Models for self-diffusion in the square well fluid The Journal of Chemical Physics. 94: 3132-3140. DOI: 10.1063/1.459783  0.371
1991 Rhykerd C, Tan Z, Pozhar LA, Gubbins KE. Properties of simple fluids in carbon micropores Journal of the Chemical Society, Faraday Transactions. 87: 2011. DOI: 10.1039/Ft9918702011  0.483
1991 Tan Z, Gubbins KE. Theory of Adsorption in Micropores Studies in Surface Science and Catalysis. 62: 21-30. DOI: 10.1016/S0167-2991(08)61305-1  0.445
1991 de Miguel E, Rull LF, Gubbins KE. Effect of molecular elongation on liquid-vapour properties: computer simulation and virial approximation Physica a: Statistical Mechanics and Its Applications. 177: 174-181. DOI: 10.1016/0378-4371(91)90150-B  0.443
1990 Miguel Ed, Rull LF, Chalam MK, Gubbins KE. Liquid-Vapour Coexistence Of The Gay-Berne Fluid By Gibbs-Ensemble Simulation Molecular Physics. 71: 1223-1231. DOI: 10.1080/00268979000102451  0.357
1990 Peterson BK, Heffelfinger GS, Gubbins KE, Swol Fv. Layering transitions in cylindrical pores Journal of Chemical Physics. 93: 679-685. DOI: 10.1063/1.459516  0.317
1990 Tan Z, Gubbins KE. Adsorption in carbon micropores at supercritical temperatures Journal of Physical Chemistry. 94: 6061-6069. DOI: 10.1021/J100378A079  0.45
1990 Walsh JM, Gubbins KE. A modified thermodynamic perturbation theory equation for molecules with fused hard sphere cores Journal of Physical Chemistry. 94: 5115-5120. DOI: 10.1021/J100375A065  0.357
1990 Chapman WG, Gubbins KE, Jackson G, Radosz M. New reference equation of state for associating liquids Industrial & Engineering Chemistry Research. 29: 1709-1721. DOI: 10.1021/Ie00104A021  0.699
1989 Jackson G, Gubbins KE. Mixtures of associating spherical and chain molecules Pure and Applied Chemistry. 61: 1021-1026. DOI: 10.1351/Pac198961061021  0.625
1989 Heffelfinger GS, Tan Z, Gubbins KE, Marconi UMB, Swol FV. Lennard-Jones Mixtures In A Cylindrical Pore. A Comparison of Simulation and Density Functional Theory Molecular Simulation. 2: 393-411. DOI: 10.1080/08927028908034612  0.461
1989 Gubbins KE. The Role of Computer Simulation in Studying Fluid Phase Equilibria Molecular Simulation. 2: 223-252. DOI: 10.1080/08927028908034604  0.369
1989 Chan K, Gubbins KE, Henderson D, Blum L. Monte Carlo and simple theoretical calculations for ion-dipole mixtures Molecular Physics. 66: 299-316. DOI: 10.1080/00268978900100141  0.603
1989 Tan Z, Marconi UMB, Swol Fv, Gubbins KE. Hard‐sphere mixtures near a hard wall Journal of Chemical Physics. 90: 3704-3712. DOI: 10.1063/1.455828  0.363
1989 Chapman W, Gubbins K, Jackson G, Radosz M. SAFT: Equation-of-state solution model for associating fluids Fluid Phase Equilibria. 52: 31-38. DOI: 10.1016/0378-3812(89)80308-5  0.708
1988 Shing KS, Gubbins KE, Lucas K. Henry constants in non-ideal fluid mixtures computer simulation and theory Molecular Physics. 65: 1235-1252. DOI: 10.1080/00268978800101731  0.731
1988 Chapman WG, Jackson G, Gubbins KE. Phase equilibria of associating fluids chain molecules with multiple bonding sites Molecular Physics. 65: 1057-1079. DOI: 10.1080/00268978800101601  0.696
1988 Jackson G, Chapman WG, Gubbins KE. Phase equilibria of associating fluids spherical molecules with multiple bonding sites Molecular Physics. 65: 1-31. DOI: 10.1080/00268978800100821  0.726
1988 Heffelfinger GS, Swol Fv, Gubbins KE. Adsorption hysteresis in narrow pores Journal of Chemical Physics. 89: 5202-5205. DOI: 10.1063/1.455610  0.435
1988 Peterson BK, Gubbins KE, Heffelfinger GS, Marconi UMB, Swol Fv. Lennard‐Jones fluids in cylindrical pores: Nonlocal theory and computer simulation Journal of Chemical Physics. 88: 6487-6500. DOI: 10.1063/1.454434  0.441
1988 Heffelfinger GS, Tan Z, Gubbins KE, Marconi UMB, Swol Fv. Fluid mixtures in narrow cylindrical pores: computer simulation and theory International Journal of Thermophysics. 9: 1051-1060. DOI: 10.1007/Bf01133272  0.407
1988 Jackson G, Chapman WG, Gubbins KE. Phase equilibria of associating fluids of spherical and chain molecules International Journal of Thermophysics. 9: 769-779. DOI: 10.1007/Bf00503243  0.724
1987 Chapman WG, Joslin CG, Gubbins KE, Gray CG. Mixtures of polar and associating molecules Pure and Applied Chemistry. 59: 53-60. DOI: 10.1351/Pac198759010053  0.562
1987 Tan Z, Van Swol F, Gubbins KE. Lennard-Jones mixtures in cylindrical pores Molecular Physics. 62: 1213-1224. DOI: 10.1080/00268978700102921  0.386
1987 Joslin CG, Gray CG, Chapman WG, Gubbins KE. Theory and simulation of associating liquid mixtures. II Molecular Physics. 62: 843-860. DOI: 10.1080/00268978700102621  0.578
1987 Peterson BK, Gubbins KE. Phase transitions in a cylindrical pore grand canonical monte carlo, mean field theory and the kelvin equation Molecular Physics. 62: 215-226. DOI: 10.1080/00268978700102151  0.409
1987 Heffelfinger GS, Swol Fv, Gubbins KE. Liquid-vapour coexistence in a cylindrical pore Molecular Physics. 61: 1381-1390. DOI: 10.1080/00268978700101861  0.365
1986 Telo Da Gama MM, Gubbins KE. Adsorption and orientation of amphiphilic molecules at a liquid-liquid interface Molecular Physics. 59: 227-239. DOI: 10.1080/00268978600102031  0.362
1986 Luckas M, Lucas K, Deiters U, Gubbins KE. Integrals over pair- and triplet-correlation functions for the lennard-jones (12-6)-fluid Molecular Physics. 57: 241-253. DOI: 10.1080/00268978600100191  0.313
1986 Lee DJ, Gama MMTd, Gubbins KE. A microscopic theory for spherical interfaces: Liquid drops in the canonical ensemble Journal of Chemical Physics. 85: 490-499. DOI: 10.1063/1.451627  0.389
1986 Shreve AP, Walton JPRB, Gubbins KE. Liquid drops of polar molecules The Journal of Chemical Physics. 85: 2178-2186. DOI: 10.1063/1.451111  0.408
1986 Peterson BK, Walton JPRB, Gubbins KE. Fluid behaviour in narrow pores Journal of the Chemical Society, Faraday Transactions 2: Molecular and Chemical Physics. 82: 1789-1800. DOI: 10.1039/F29868201789  0.437
1986 Chapman W, Gubbins K, Joslin C, Gray C. Theory and simulation of associating liquid mixtures Fluid Phase Equilibria. 29: 337-346. DOI: 10.1016/0378-3812(86)85033-6  0.579
1985 Walton JPRB, Gubbins KE. The pressure tensor in an inhomogeneous fluid of non-spherical molecules Molecular Physics. 55: 679-688. DOI: 10.1080/00268978500101631  0.374
1985 Gray CG, Joslin CG, Venkatasubramanian V, Gubbins KE. Induction effects in fluid mixtures of dipolar-quadrupolar polarizable molecules Molecular Physics. 54: 1129-1148. DOI: 10.1080/00268978500100901  0.357
1985 Joslin CG, Gray CG, Gubbins KE. Renormalized perturbation theory for dipolar and quadrupolar polarizable liquids Molecular Physics. 54: 1117-1128. DOI: 10.1080/00268978500100891  0.316
1985 Thurtell JH, Gama MMTd, Gubbins KE. The liquid-vapour interface of simple models of nematic liquid crystals Molecular Physics. 54: 321-332. DOI: 10.1080/00268978500100261  0.375
1985 Gubbins KE. Theory and computer simulation studies of liquid mixtures Fluid Phase Equilibria. 20: 1-25. DOI: 10.1016/0378-3812(85)90018-4  0.402
1985 Lobo L, Staveley L, Venkatasubramanian V, Clancy P, Gubbins K, Gray C, Joslin C. Thermodynamic properties of liquid mixtures of hydrogen chloride and tetrafluoromethane Fluid Phase Equilibria. 22: 89-105. DOI: 10.1016/0378-3812(85)87013-8  0.307
1985 Charos GN, Clancy P, Gubbins KE, Naik CD. Three-dimensional PTx phase diagrams through interactive computer graphics Fluid Phase Equilibria. 23: 59-78. DOI: 10.1016/0378-3812(85)85028-7  0.329
1985 Peterson BK, Walton JPRB, Gubbins KE. Microscopic studies of fluids in pores: Computer simulation and mean-field theory International Journal of Thermophysics. 6: 585-593. DOI: 10.1007/Bf00500331  0.441
1984 Lee D, Telo da Gama M, Gubbins K. The vapour-liquid interface for a Lennard-Jones model of argon-krypton mixtures Molecular Physics. 53: 1113-1130. DOI: 10.1080/00268978400102891  0.415
1984 Wojcik M, Gubbins KE. Thermodynamics and structure of hard oblate spherocylinder fluids Molecular Physics. 53: 397-420. DOI: 10.1080/00268978400102401  0.376
1984 Wojcik M, Gubbins KE. Mixtures of quadrupolar hard dumbells Molecular Physics. 51: 951-974. DOI: 10.1080/00268978400100631  0.364
1984 Thompson SM, Gubbins KE, Walton JPRB, Chantry RAR, Rowlinson JS. A molecular dynamics study of liquid drops The Journal of Chemical Physics. 81: 530-542. DOI: 10.1063/1.447358  0.684
1984 Murad S, Gray CG, Gubbins KE, Thompson SM. The effect of non-axial quadrupole forces on the anisotropy of mean-squared force and torque Chemical Physics Letters. 104: 407-408. DOI: 10.1016/0009-2614(84)80090-1  0.508
1983 Shing KS, Gubbins KE. The chemical potential in non-ideal liquid mixtures computer simulation and theory Molecular Physics. 49: 1121-1138. DOI: 10.1080/00268978300101811  0.732
1983 Lobo LQ, Staveley LAK, Clancy P, Gubbins KE, Machado JRS. Thermodynamics of liquid mixtures of nitrous oxide and ethene Journal of the Chemical Society, Faraday Transactions 2. 79: 1399. DOI: 10.1039/F29837901399  0.364
1983 Calado JCG, de Azevedo EJSG, Clancy P, Gubbins KE. Thermodynamic study of liquid mixtures of ethane and ethene Journal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases. 79: 2657. DOI: 10.1039/F19837902657  0.376
1983 Gubbins KE, Shing KS, Streett WB. Fluid phase equilibriums: experiment, computer simulation, and theory The Journal of Physical Chemistry. 87: 4573-4585. DOI: 10.1021/J100246A009  0.358
1983 Monson PA, Gubbins KE. Molecular theory for fluids modelled with gaussian overlap potentials Fluid Phase Equilibria. 13: 161-170. DOI: 10.1016/0378-3812(83)80090-9  0.635
1983 Gubbins KE. Equations of state - new theories Fluid Phase Equilibria. 13: 35-57. DOI: 10.1016/0378-3812(83)80081-8  0.353
1983 Murad S, Gubbins KE, Gray CG. Comparisons of perturbation and integral equation theories for the angular pair correlation function in molecular fluids Chemical Physics. 81: 87-98. DOI: 10.1016/0301-0104(83)85304-X  0.525
1983 Gray CG, Gubbins KE, Murad S, Shing KS. The effect of non-axial quadrupole forces on liquid properties Chemical Physics Letters. 95: 541-543. DOI: 10.1016/0009-2614(83)80350-9  0.778
1982 Shing KS, Gubbins KE. The chemical potential in dense fluids and fluid mixtures via computer simulation Molecular Physics. 46: 1109-1128. DOI: 10.1080/00268978200101841  0.697
1982 Wojcik M, Gubbins KE, Powles JG. The thermodynamics of symmetric two centre lennard-jones liquids Molecular Physics. 45: 1209-1225. DOI: 10.1080/00268978200100931  0.366
1982 Shing KS, Gubbins KE. Free energy and vapour-liquid equilibria for a quadrupolar lennard-jones fluid Molecular Physics. 45: 129-139. DOI: 10.1080/00268978200100101  0.731
1981 Thompson SM, Gubbins KE, Sullivan DE, Gray CG. Structure of a diatomic fluid near a wall Molecular Physics. 51: 21-44. DOI: 10.1080/00268978400100021  0.342
1981 Clancy P, Gubbins KE. The thermodynamics of hydrogen and hydrogen-methane mixtures Molecular Physics. 44: 581-595. DOI: 10.1080/00268978100102661  0.325
1981 Shing KS, Gubbins KE. The chemical potential from computer simulation test particle method with umbrella sampling Molecular Physics. 43: 717-721. DOI: 10.1080/00268978100101631  0.71
1981 Gray CG, Gubbins KE. Theory of fluids of non-axial quadrupolar molecules II. Structural and spectroscopic properties Molecular Physics. 42: 843-860. DOI: 10.1080/00268978100100661  0.341
1981 Gubbins KE, Gray CG, Machado JRS. Theory of fluids of non-axial quadrupolar molecules: I. Thermodynamic properties Molecular Physics. 42: 817-841. DOI: 10.1080/00268978100100651  0.347
1981 Thompson SM, Gubbins KE, Haile JM. Orientational structure at a vapor–liquid interface: Effect of electrostatic forces Journal of Chemical Physics. 75: 1325-1332. DOI: 10.1063/1.442138  0.333
1981 Gubbins KE, Thompson SM. Molecular orientation at a gas-liquid interface Faraday Symposia of the Chemical Society. 16: 59-70. DOI: 10.1039/Fs9811600059  0.395
1981 Lobo LQ, McClure DW, Staveley LAK, Clancy P, Gubbins KE, Gray CG. Thermodynamics of liquid mixtures of xenon and carbon tetrafluoride Journal of the Chemical Society, Faraday Transactions 2. 77: 425. DOI: 10.1039/F29817700425  0.447
1981 Moser B, Lucas K, Gubbins KE. Predictive methods for fluid phase equilibria: Molecular theory and empirical equations of state Fluid Phase Equilibria. 7: 153-179. DOI: 10.1016/0378-3812(81)85019-4  0.351
1981 Murad S, Gubbins KE. Prediction of thermal conductivity for dense fluids and fluid mixtures Aiche Journal. 27: 864-866. DOI: 10.1002/Aic.690270529  0.538
1980 Murad S, Gubbins KE, Powles JG. A molecular dynamics simulation of fluid hydrogen chloride Molecular Physics. 40: 253-268. DOI: 10.1080/00268978000101461  0.627
1980 Powles JG, McGrath E, Gubbins KE. A computer simulation for a simple model of liquid hydrogen chloride-time correlation functions Molecular Physics. 40: 179-192. DOI: 10.1080/00268978000101371  0.351
1980 Murad S, Gubbins KE. Structure factor of liquid vanadium tetrachloride Molecular Physics. 39: 271-275. DOI: 10.1080/00268978000100231  0.508
1980 Lobo LQ, Staveley LAK, Clancy P, Gubbins KE. Enthalpy of mixing of liquid hydrogen chloride and liquid xenon. Comparison of experiment and theory Journal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases. 76: 174. DOI: 10.1039/F19807600174  0.322
1979 Murad S, Evans D, Gubbins K, Streett W, Tildesley D. Molecular dynamics simulation of dense fluid methane Molecular Physics. 37: 725-736. DOI: 10.1080/00268977900103151  0.666
1979 Powles J, Evans W, McGrath E, Gubbins K, Murad S. A computer simulation for a simple model of liquid hydrogen chloride Molecular Physics. 38: 893-908. DOI: 10.1080/00268977900102121  0.61
1979 Nicolas JJ, Gubbins KE, Streett WB, Tildesley DJ. Equation of state for the Lennard-Jones fluid Molecular Physics. 37: 1429-1454. DOI: 10.1080/00268977900101051  0.328
1979 Downs J, Gubbins K, Murad S, Gray C. Spherical harmonic expansion of the intermolecular site-site potential Molecular Physics. 37: 129-140. DOI: 10.1080/00268977900100111  0.521
1979 Dufty JW, Gubbins KE. The self-diffusion coefficient for a square well fluid Chemical Physics Letters. 64: 142-145. DOI: 10.1016/0009-2614(79)87295-4  0.329
1979 Murad S, Gubbins KE, Gray CG. Second-order perturbation theory for the angular pair correlation function in molecular fluids Chemical Physics Letters. 65: 187-191. DOI: 10.1016/0009-2614(79)80155-4  0.547
1978 Gray CG, Gubbins KE, Twu CH. Perturbation theory for molecular fluids: Third‐order term in the Pople expansion Journal of Chemical Physics. 69: 182-193. DOI: 10.1063/1.436383  0.36
1978 Calado JCG, Gray CG, Gubbins KE, Palavra AMF, Soares VAM, Staveley LAK, Twu C. Thermodynamics of binary liquid mixtures involving hydrogen bromide, hydrogen chloride and xenon Journal of the Chemical Society, Faraday Transactions 1: Physical Chemistry in Condensed Phases. 74: 893. DOI: 10.1039/F19787400893  0.351
1978 Clancy P, Gubbins KE, Gary CG. Thermodynamics of polar liquid mixtures Faraday Discussions of the Chemical Society. 66: 116-129. DOI: 10.1039/Dc9786600116  0.307
1978 Gubbins KE, Twu CH. Thermodynamics of polyatomic fluid mixtures-I theory Chemical Engineering Science. 33: 863-878. DOI: 10.1016/0009-2509(78)85176-8  0.348
1977 Murad S, Gubbins KE. Corresponding states correlation for thermal conductivity of dense fluids Chemical Engineering Science. 32: 499-505. DOI: 10.1016/0009-2509(77)87006-1  0.533
1976 Groome L, Gubbins K, Dufty J. Time-dependent triplet correlation functions and pressure derivative of the dynamic structure factor Physical Review A. 13: 437-449. DOI: 10.1103/Physreva.13.437  0.3
1976 Haile JM, Gray CG, Gubbins KE. Theory of surface tension for molecular liquids. II. Perturbation theory calculations Journal of Chemical Physics. 64: 2569-2578. DOI: 10.1063/1.432509  0.349
1976 Twu CH, Gubbins KE, Gray CG. Thermodynamics of mixtures of nonspherical molecules. III. Fluid phase equilibria and critical loci Journal of Chemical Physics. 64: 5186-5197. DOI: 10.1063/1.432193  0.371
1976 Haile JM, Litchinsky D, McPherson R, Gray CG, Gubbins KE. Monte carlo simulation of molecular fluids on a minicomputer Journal of Computational Physics. 21: 227-237. DOI: 10.1016/0021-9991(76)90013-9  0.384
1976 Powles JG, Gubbins KE. The intermolecular potential for nitrogen Chemical Physics Letters. 38: 405-406. DOI: 10.1016/0009-2614(76)80003-6  0.311
1975 Gray CG, Gubbins KE. Theory of surface tension for molecular fluids Molecular Physics. 30: 179-192. DOI: 10.1080/00268977500101861  0.345
1975 Egelstaff PA, Gray CG, Gubbins KE, Mo KC. Theory of inelastic neutron scattering from molecular fluids Journal of Statistical Physics. 13: 315-330. DOI: 10.1007/Bf01012010  0.319
1974 Ananth MS, Gubbins KE, Gray CG. Perturbation theory for equilibrium properties of molecular fluids Molecular Physics. 28: 1005-1030. DOI: 10.1080/00268977400102331  0.396
1974 Twu CH, Gray CG, Gubbins KE. The mean squared torque in pure and mixed dense fluids Molecular Physics. 27: 1601-1612. DOI: 10.1080/00268977400101331  0.334
1974 Mo KC, Gubbins KE, Jacucci G, McDonald IR. The radial distribution function in fluid mixtures: Conformal solution theory and molecular dynamics results Molecular Physics. 27: 1173-1183. DOI: 10.1080/00268977400101041  0.312
1974 Wang SS, Egelstaff PA, Gray CG, Gubbins KE. Monte Carlo study of the angular pair correlation function in a liquid with quadrupolar forces Chemical Physics Letters. 24: 453-456. DOI: 10.1016/0009-2614(74)85301-7  0.314
1974 Mo KC, Gubbins KE. Perturbation theory for molecular fluids using a nonspherical reference potential Chemical Physics Letters. 27: 144-148. DOI: 10.1016/0009-2614(74)80465-3  0.375
1973 Gubbins KE, Gray CG, Egelstaff PA, Ananth MS. Angular correlation effects in neutron diffraction from molecular fluids Molecular Physics. 25: 1353-1375. DOI: 10.1080/00268977300101171  0.33
1973 Tiepel EW, Gubbins KE. Thermodynamic properties of gases dissolved in electrolyte solutions Industrial and Engineering Chemistry. 12: 18-25. DOI: 10.1021/I160054A019  0.328
1973 Gubbins KE. Perturbation methods for calculating properties of liquid mixtures Aiche Journal. 19: 684-698. DOI: 10.1002/Aic.690190403  0.313
1972 Tiepel EW, Gubbins KE. Theory of gas solubility in mixed solvent systems The Canadian Journal of Chemical Engineering. 50: 361-365. DOI: 10.1002/Cjce.5450500309  0.309
1970 Tham MJ, Walker RD, Gubbins KE. Diffusion of oxygen and hydrogen in aqueous potassium hydroxide solutions The Journal of Physical Chemistry. 74: 1747-1751. DOI: 10.1021/J100703A015  0.488
1969 Gubbins KE, Tham MJ. Free volume theory for viscosity of simple nonpolar liquids. Part II. Mixtures Aiche Journal. 15: 269-271. DOI: 10.1002/Aic.690150226  0.331
1969 Gubbins KE, Tham MJ. Free volume theory for viscosity of simple nonpolar liquids. Part I. Pure components Aiche Journal. 15: 264-269. DOI: 10.1002/Aic.690150225  0.357
1967 Tham MJ, Gubbins KE, Walker RD. Densities of potassium hydroxide solutions Journal of Chemical & Engineering Data. 12: 525-526. DOI: 10.1021/Je60035A017  0.474
1966 Gubbins KE, Bhatia KK, Walker RD. Diffusion of gases in electrolytic solutions Aiche Journal. 12: 548-552. DOI: 10.1002/Aic.690120328  0.505
1965 Gubbins KE, Walker RD. The Solubility and Diffusivity of Oxygen in Electrolytic Solutions Journal of the Electrochemical Society. 112: 469-471. DOI: 10.1149/1.2423575  0.483
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