"The theory of transient flow with adsorption in long, single capillaries."
Z. Phys. Chem., 37, 257-286 (1963).
7. Nicholson, D.
"Variation of surface area during the thermal decompositon of solids."
Trans. Far Soc. 61, 990-998 (1965).
11. Barrer, R.M. and Nicholson, D.
"Flow in capillary systems. I. Gases in capillary pairs"
Brit. J. Appl. Phys 16, 1377-1385 (1965).
13. Barrer, R.M. and Nicholson, D.
"Flow in capillary systems. II. Low pressure transition flow of gases in short capillaries, rectangular slits, beds of spheres and parallel capillary bundles."
Brit. J. Appl. Phys. 17, 1091-1102 (1966).
14. Nicholson, D and Petropoulos, J.H.
"Capillary models for porous media. I. Two-phase flow in serial model."
J. Phys. D., 1, 1379-1385 (1968).
15. Nicholson, D.
"Capillary models for porous media. II. Sorption desorption hysteresis in three-dimensional networks."
Trans. Far. Soc. 64, 3416-3424 (1968).
18. Nicholson, D. and Petropoulos, J.H.
"Influence of adsorption forces on the flow of dilute gases through porous media."
J. Coll. Interface Science, 45, 459-466 (1973).
21. Nicholson, D.
"Molecular theory of adsorption in pore spaces. 1. Isotherms for simple lattice models."
J. Chem. Soc. Faraday Trans I, 71, 238-250 (1975).
22. Rowley, L.A., Nicholson, D. and Parsonage, N.G.
"Monte Carlo grand canonical ensemble calculation in a gas-liquid transition region for 12-6 Argon."
J. Comp. Phys. 17, 401-414 (1975).
23. Nicholson, D and Petropoulos, J.H.
"Capillary models for porous media V. Flow properties of random networks with various radius distributions."
J. Phys. D., 8, 1430-1440 (1975).
24. Nicholson, D. and Petropoulos, J.H.
"A fundamental approach to molecular flow in pore spaces."
Ber. Bunsen Gesellschaft fur phys. Chem., 79, 796-797, (1975).
25. Nicholson, D.
"Molecular theory of adsorption in pore spaces. 2. Thermodynamic and molecular lattice model descriptions of capillary condensation."
J. Chem. Soc., Faraday Trans I, 72, 29-39 (1976).
26. Rowley, L.A., Nicholson, D., and Parsonage M.G.
"Grand Ensemble Monte Carlo studies of physical adsorption. I. Results for multilayer adsorption of 12-6 argon in the field of a plane homogeneous solid."
Molecular Physics, 31, 365-387 (1976).
27. Rowley, L.A., Nicholson, D. and Parsonage, N.G.
"Grand Ensemble Monte Carlo studies of physical adsorption. II. Structure of the adsorbate. Critique of theories of multilayer adsorption for 12-6 argon on a plane homogeneous solid."
Molecular Physics, 31, 389-407 (1976).
28. Nicholson, D. and Silvester, R.
"Investigation of step formation in multilayer adsorption using a lattice model."
J. Coll. Interface Sci. 62, 447-453 (1977).
30. Nicholson, D., Rowley, L.A. and Parsonage, N.G.
"Monte Carlo calculations for the interaction of 12-6 argon at 80K with graphite in the region of monolayer adsorption."
J. de Physique, 38, C4-1 to C4-7 (1977).
31. Nicholson, D. and Petropoulos, J.H.,
"Capillary models for porous media: VII Study of gaseous flow in the transition from the Knudsen to the counter diffusion regimes."
J. Phys. D. 10, 2433-2427 (1977).
34. Nicholson, D. and Petropoulos, J.H.
"Capillary models for porous media: VIII. A study of gaseous flow in the transition from the Knudsen to the Poiseuille flow regimes."
J. Phys. D: 11, 1179-1187 (1978).
36. Nicholson, D., Petrou, J. and Petropoulos, J.H.
"Calculation of the 'surface flow' of a dilute gas in model pores from first principles. I. Calculation of Free Molecular Flow in an Adsorbent Force Field by two Methods"
J. Coll. Interf. Sci. 71, 570-579, (1979).
39. Nicholson, D. and Petropoulos, J.H.
"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."
J. Coll. and Interf. Sci. 83, 420-7, (1981).
40. Christou, N.I., Whitehouse, J.S., Nicholson, D. and Parsonage, N.G.
"A Monte Carlo study of fluid water in contact with structureless walls."
J.C.S. Faraday Symposium, 16, 139-149 (1981).
41. Nicholson, D., Parsonage, N.G. and Rowley, L.A.
"Grand Ensemble Monte Carlo Study of Model Epitaxial Rare Gas Monolayers."
Mol. Phys. 44, 629-651 (1981).
44. Nicholson, D. and Parsonage N.G.
"Computer Simulation and the Statistical Mechanics of Adsorption."
Academic Press, XV + 398 pages, (1982).
45. Whitehouse, J.S., Nicholson, D. and Parsonage, N.G.
"A grand ensemble Monte Carlo study of krypton adsorbed on graphite."
Mol. Phys. 49, 829-847 (1983).
46. Kanellopoulos, N., Munday, K.A. and Nicholson, D.
"The flow of a non-adsorbed, collisionless gas through linked-spheres a model for zeolite diffusion."
J. Membrane Sci. 13, 247-258 (1983).
47. Nicholson, D.
"Intermolecular forces and adsorption on graphite"
in Fundamentals of Adsorption, A.L. Myers and G. Belfort,eds
Engineering Foundation (New York) pp 397-410 (1984).
48. Nicholson, D. and Petropoulos, J.H.
"Gas relative permeability in the capillary network model."
J.C.S. Faraday I 80, 1069-1081 (1984).
50. Nicholson, D.
"First order dispersion energy in the interaction of small molecules with graphite"
Surface Science 146, 480-500 (1984).
52. Nicholson, D., Kanellopoulos, N.K. and Petropoulos. J.H.
"Effect of pore structure and macroscopic non-homogeneity on the relative gas permeability of porous solids".
J. Chem Soc. Faraday Trans. I, 81, 1183-1194 (1985).
53. Nicholson, D.
"Many body interactions and effective potentials in 2- and 3- dimensional solids and adsorbates."
Surf. Sci. 151, 553-569 (1985).
54. Nicholson, D. and Petropoulos, J.H.
"Calculation of the "surface flow of a dilute gas in model pores from first principles. II Molecular gas flow in single pores and simple model porous media".
J. Colloid and Interface Sci. 106, 538-546 (1985).
55. Christou, N.I. Whitehouse, J.S. Nicholson, D. and Parsonage, N.G.
"Studies of high density water films by computer simulation"
Mol. Phys. 55, 397-410 (1985).
60. Parsonage,N.G. and Nicholson,D.
"Computer simulation of water between metal walls"
JCS Faraday Trans.2, 82, 1521-1534 (1986).
61. Nicholson, D.
"Two-body and many-body interactions in physical adsorption"
in Fundamentals of Adsorption, A.I.Liapis ed.,
Engineering Foundation (New York) pp431-441 (1987).
62. Parsonage, N.G. and Nicholson, D.
"A Monte Carlo study of the effect of temperature and wall separation on the structure and properties of water between metal walls."
JCS Faraday Trans.2, 83, 663-673 (1987).
63. Nicholson, D.
"Graphite polarisability"
Surface Sci., 181, L189-L192 (1987).
64. Nicholson, D.
"Triple dipole dispersion interactions between a linear adsorbate and an anisotropic adsorbent"
Surface Sci. 184, 255-272 (1987).
67. Kim, H-Y., Cole, M.W., Toigio, F. and Nicholson, D.
"Dispersion interaction between adsorbed linear molecules"
Surface Sci. 198, 555-570 (1988).
68. Zara, S.J., Nicholson, D., Parsonage, N.G. and Barber, J.
"Mixed valency counterions between charged walls. An investigation using Monte Carlo simulation and comparison with Poisson-Boltzmann theory "
J.Colloid and Interface Sci. 129, 297-307,(1989).
69. Zara, S.J. and Nicholson, D.
"Grand canonical ensemble Monte Carlo simulation on a transputer array"
Molecular Simulation 5, 245-261, (1990).
70. Nicholson, D., Zara, S.J.,Parsonage, N.G. and Barber, J.
"Lattice model simulations of the stacking/unstacking behaviour in thylakoid membranes"
J.Theor.Biol. 145, 65-81,(1990).
72. Cracknell, R.F., Nicholson, D., Parsonage, N.G. and Evans, H.
"Rotational insertion bias: a novel method for simulating dense phases of structured particles, with particular application to water."
Molecular Physics 71,, 931-943, (1990).
75. Demi, T. and Nicholson, D.
"Molecular dynamics simulation studies of the density and temperature dependence of self-diffusion in a cylindrical micropore"
Molecular Simulation 5, 363-381, (1991).
76. Demi, T. and Nicholson, D.
"A molecular dynamics study of the density and temperature dependence of self-diffusion in a 'sphere-cylinder' micropore."
Molecular Simulation 7, 121-134, (1991).
78. Nicholson, D.
"Fundamentals of equilibria in adsorption"
Third International Conference on Fundamentals of Adsorption", eds A.B. Mersmann and S.E.Scholl, United Engineering Trustees, New York, pp3-22,
(1991).
79. Demi, T. and Nicholson, D.
"Effect of the ratio of radius of sphere to radius of cylinder on adsorption and self diffusion in a 'sphere-cylinder' micropore."
Langmuir,7,2342-2345,(1991)
80. Demi, T. and Nicholson, D.
"Effect of the ratio of length of sphere to length of cylinder on adsorption and self diffusion in a 'sphere-cylinder' micropore."
JCS Faraday,87,3791-3797, (1991)
81. Parsonage, N. G. and Nicholson, D.
"A statistical mechanical study of a model for the stacking/unstacking behaviour of thylakoid membranes."
Molecular Physics, 75, 23-36, (1992)
82. Cracknell, R.F., Nicholson, D. and Parsonage, N.G.
"Interbilayer repulsion in non-ionic surfactant/water lamellar phases: 1. A Monte Carlo study of a dipole array model with discrete water molecules"
Molecular Physics, 75, 1023-1038, (1992)
83. Cracknell, R.F., Nicholson, D. and Parsonage, N.G.
"Interbilayer repulsion in non-ionic surfactant/water lamellar phases: 2. The role of binding site entropy"
Molecular Physics, 75, 1039-1045, (1992)
84. Cracknell, R.F., Nicholson, D. and Parsonage, N.G.
"The fluid-solid potential for a dynamic surface"
Chem Phys Letts,196, 353-357, (1992)
85. Pellenq, R. J-M. and Nicholson, D.
"In framework ion dipole polarizabilities in porous and non-porous silicates and aluminosilicates, determined from Auger spectroscopy data"
JCS Faraday Trans, 89, 2499-2503 (1993).
88. Cracknell, R.F., Nicholson, D. and Quirke, N.
"A grand canonical Monte Carlo study of Lennard-Jones mixtures in slit
shaped pores." Molecular Physics, 80, 885-897,(1993).
90. Nicholson, D.
"A simulation study of nitrogen adsorbed in parallel sided micropores with corrugated potential functions"
J. Chem. Soc. Faraday Transactions, 89, 181-185, (1994).
91. Boutin, A., Pellenq, R. J-M. and Nicholson, D.
"Molecular simulation of the stepped adsorption isotherm of methane in aluminophosphate, AlPO4-5"
Chem Phys Letts. 219, 484, (1994 )
92. Kong, Y.C., Nicholson, D. and Parsonage, N.G.
"The second virial coefficients for water from Monte Carlo integration using reduced effective charges "
Mol. Simulation, 13, 39-46,(1994).
93. Cracknell,R.F. and Nicholson, D.
A grand ensemble Monte Carlo study of Lennard-Jones mixtures in slit pores: 3: Mixtures of two molecular fluids : ethane and propane.
JCS Faraday Transactions, 90, 1487-1493,(1994)
94. Kong, Y. C., Nicholson, D., Parsonage, N.G. and Thompson, L.
"Monte Carlo simulations of a single poly(oxyethylene) C12E2 chain headgroup fixed on a bilayer surface in water"
J. Chem. Soc. Faraday Transactions, 90,2375-2380, (1994)
96. Pellenq, R. J-M. and Nicholson, D.
"In-crystal oxygen polarizability for porous and non-porous materials"
Studies in Surface Science and Catalysis, 87, 29-39, (1994)
Characterization of Porous Solids III, J. Rouquerol, F. Rodriguez-Reinoso,
K.S.W. Sing and K. K. Unger (Eds.).
98. Cracknell, R.F. and Nicholson, D. and Quirke, N.
"A grand canonical Monte Carlo study of Lennard-Jones mixtures in slit pores; 2: Mixtures of two centre ethane with methane."
Mol. Simulation, 13, 161-175, (1994).
99. Kaneko, K, Cracknell, R. F. and Nicholson, D.
"Nitrogen adsorption in slit pores at ambient temperatures: Comparison of simulation and experiment."
Langmuir, 10, 4606-4609, (1994).
100. Pellenq, R. J-M. and Nicholson, D.
"Intermolecular potential function for the physical adsorption of rare gases in silicalite-1"
J. Phys. Chem., 98, 13339-13349, (1994).
101. Cracknell,R.F. and Nicholson, D.
"Adsorption of gas mixtures on solid surfaces, theory and computer simulation"
Adsorption 1, 7-16, (1995).
102. Cracknell, R.F., Nicholson, D. and Quirke, N.
"Direct molecular dynamics simulation of flow down a chemical potential gradient in a slit-shaped micropore"
Phys Rev Letts, 74, 2463-2466, (1995).
103. Pellenq, R. J-M. and Nicholson, D.
"Grand ensemble simulation of simple molecules adsorbed in silicalite-1 zeolite"
Langmuir, 11, 1626-1635, (1995)
104. R.F. Cracknell, K.E. Gubbins, M.Maddox and D. Nicholson.
"Modelling Fluid Behaviour in Well-Characterized Porous Materials"
Accounts of Chemical Research, 28, 281-288, (1995).
105. Cracknell, R.F., Nicholson, D. and Gubbins, K. E.
"A molecular dynamics study of the self diffusion of supercritical methane in slit-shaped graphitic micropores"
J.Chem. Soc. Faraday Trans, 91, 1377-1383, (1995).
106. Pellenq, R. J-M., Pellegatti, A., Nicholson, D. and Minot, C.
"Adsorption of argon in silicalite. A semiempirical quantum mechanical study of the repulsive interaction."
J. Phys. Chem. 99, 10175-10180, (1995).
107. Fernandez-Alonso,F., Pellenq, R. J-M. and Nicholson, D.
"The role of three-body interactions in the adsorption of argon in silicalite-1"
Mol. Phys. 86, 1021-1030, (1995)
108. Kong, Y. C., Nicholson, D., Parsonage, N.G. and Thompson, L.
"Monte Carlo simulations of a single poly(oxyethylene) C12E3 chain headgroup fixed on a bilayer surface in water"
J.Chem. Soc. Faraday Trans., 91, 4261-4268, (1995)
109. Nicholson D.
"Using computer simulation to study the properties of molecules in micropores"
J. Chem. Soc. Faraday Trans., 92, 1-9, (1996).
110. Nicholson, D and Gubbins,K.E.
"Separation of carbon dioxide - methane mixtures by adsorption: Effects of geometry and energetics on selectivity"
J. Chem. Phys., 104, 8126-8134, (1996).
111. Lachet, V., Boutin, A., Pellenq, R. J.-M., Nicholson D. and Fuchs, A.
"Molecular simulation study of the structural rearrangement of methane adsorbed in aluminophosphate AlPO4-5"
J. Phys. Chem., 100, 9006-9013, (1996).
112. Cracknell, R.F., Nicholson, D., Tennison, S.R. and Bromhead, J.
"Adsorption selectivity of carbon dioxide with methane and nitrogen in slit shaped carbonaceous micropores: Simulation and experiment."
Adsorption, 3, 193-203, (1996.).
113. Nicholson, D. and Cracknell, R.F.
"Self diffusion and transport in slit shaped pores"
Fundamentals of Adsorption: Proceedings of the fifth International
Conference, ed M. D. LeVan, Kluwer Academic Publishers, Boston, pp
683-690, (1996)
114. Nicholson, D. and Cracknell, R.F.
"Molecular selectivity in slit shaped micropores"
Fundamentals of Adsorption: Proceedings of the fifth International
Conference, ed M. D. LeVan, Kluwer Academic Publishers, Boston, pp
675-682, (1996)
115. Rinaldi,C.M., Estevez, L.A., Nicholson, D., Maddox M.and Gubbins K. E.,
"Monte Carlo simulations of adsorption of nitrogen/methane mixtures in zeolites"
5th World Congress of Chemical Engineering, vol III, American
Institute of Chemical Engineers, New York., pp885-890, (1996).
116. Nicholson, D., Cracknell, R. F. and Quirke, N.
"A transition in the diffusivity of adsorbed fluids through micropores",
Langmuir,
12,
4050-4052, (1996).
117. Nicholson, D., Boutin, A., and Pellenq, R. J.-M.
"Intermolecular potential functions for adsorption in zeolites: State of the art and effective models"
Mol. Simulation, 17 ,217-238, (1996)
118. Douguet, D., Pellenq, R. J.-M., Boutin, A., Fuchs, A., and Nicholson D.
"The adsorption of argon and nitrogen in silicalite-1 zeolite: A grand canonical Monte Carlo study."
Mol. Simulation, 17, 255-288, (1996).
119. Kong, Y. C., Nicholson, D., Parsonage, N.G. and Thompson, L.
"Monte Carlo simulations of a polyethylene C12E2 lamellar bilayer in water"
Mol. Phys., 89, 835-865, (1996).
120. Cracknell, R. F. , Nicholson, D. and Quirke, N.
"A Grand Canonical Monte Carlo study of Lennard_ Jones mixtures of two centre ethane with methane"
Current Topics in Mol. Sim. 1, Eds N. Quirke, K. E. Gubbins 459-474,
Gordon and Breach, London, (1997).
121. Nicholson, D.
"Intermolecular forces and simulation in pores",
Physical Adsorption: Theory and Applications, NATO ASI. eds. J. Fraissard
and C. W. Conner, Kluwer, (1997).
122. Nicholson, D.
"The transport of adsorbate mixtures in porous materials:
Basic equations for pores with simple geometry"
J. Mem. Sci., 129, 209-219 (1997).
123. Samios, S., Stubos, A.K. Kanellopoulos, N. K., Cracknell, R. F., Papadopoulos, G. K. and Nicholson, D.
"Determination of micropore size distribution from grand ensemble Monte Carlo simulations and experimental CO2 data",
Langmuir, 13, 2795-2802 (1997).
124. Nicholson, D. Freeman, N.A. and Day, M. A.
"A simulation study of nitrogen adsorption in magnesium oxide pores",
Proceedings of the 4th IUPAC Symposium on Characterisation of Porous Solids,
Royal Society of Chemistry Special Publication No. 213, eds. B. McEnany,
T.J. Mays, J. Rouquerol, F. Rodriguez-Reinoso, K.S.W. Sing and K.K.Unger,
549-556 (1997).
125. Nicholson, D., Adams, R. W., Cracknell, R. F. and Papadopoulos, G. K.
"Transport diffusion of adsorbates in micropores: Simulation in model systems"
Proceedings of the 4th IUPAC Symposium on Characterisation of Porous Solids,
Royal Society of Chemistry Special Publication No. 213, eds. B. McEnany,
T.J. Mays, J. Rouquerol, F. Rodriguez-Reinoso, K.S.W. Sing and K.K.Unger,
57-64 (1997).
126. Samios, S., Stubos, A. K., Kanellopoulos, N.K., Cracknell, R. F. Papadopoulos, G. K. and Nicholson, D.
"Micropore size distributions from experimental isotherm data and grand canonical Monte Carlo simulations"
Proceedings of the 4th IUPAC Symposium on Characterisation of Porous Solids,
Royal Society of Chemistry Special Publication No. 213, eds. B. McEnany,
T.J. Mays, J. Rouquerol, F. Rodriguez-Reinoso, K.S.W. Sing and K.K.Unger,
141-148 (1997).
127. Nicholson, D. and Pellenq, R. J-M., "Adsorption in zeolites: Intermolecular potentials and simulation",
Adv. in Coll. and Interf. Sci. 76-77, 179-20 (1998)
128. Suh, S-H, Heo, N-H and Nicholson, D.
"Knudsen diffusion in the sequentially linked spherical pore"
J. Chem. Eng. Jap.,31, 644-648, (1998)
129. Nicholson, D.
"Simulation studies of methane transport in model graphite micropores",
Carbon, 36,1511-1523, (1998).
130. Pellenq R. J-M. and Nicholson, D.,
"A simple method to calculate dispersion coefficients for isolated and in-condensed-phase species"
Molecular Physics 95, 549-570, (1998).
131. D. Nicholson
"Computer modelling of adsorbate transport in nanospaces"
Supramolecular Sci. 5, 275-280 (1998).
132. S-H Suh, D. Nicholson and J. M. D. MacElroy
"Molecular simulation studies of steric hindrance effects through a circular pore entrance."
Bull. Korean Chem. Soc., 19, 1145-1147 (1998)