Honorary Professor David Nicholson
Honorary Professor
School of Chemical Engineering
Journal Articles
Castaño Plaza, Octavio, Loi, Quang K., Herrera Diaz, Luis F., Do, D. D. and Nicholson, D. (2023). Effects of a free adsorbate boundary on the description of an argon adsorbed film on graphite below the bulk triple point. Langmuir, 39 (21), 7456-7468. doi: 10.1021/acs.langmuir.3c00722
Loi, Quang K., Plaza, Octavio Castaño, Diaz, Luis F Herrera, Do, D.D. and Nicholson, D. (2022). On the microscopic behaviour of the vapour-liquid interface of methane-xenon mixture. Fluid Phase Equilibria, 561 113536, 113536. doi: 10.1016/j.fluid.2022.113536
Loi, Quang K., Tan, Shiliang Johnathan, Do, D. D. and Nicholson, D. (2022). Phase properties and wetting transitions of simple gases on graphite-characteristic temperatures of monolayer adsorbate. Journal of Chemical and Engineering Data, 67 (7) acs.jced.1c00911, 1687-1698. doi: 10.1021/acs.jced.1c00911
Loi, Quang K., Tan, Shiliang Johnathan, Do, D. D. and Nicholson, D. (2021). Lower closure point for nitrogen or argon adsorption in mesoporous solids: window-induced evaporation or surface-induced cavitation?. Industrial and Engineering Chemistry Research, 60 (42), 15343-15351. doi: 10.1021/acs.iecr.1c02748
Xu, Hui, Phothong, Krittamet, Do, D. D. and Nicholson, D. (2021). Wetting/non-wetting behaviour of quadrupolar molecules (N2, C2H4, CO2) on planar substrates. Chemical Engineering Journal, 419 129502, 1-16. doi: 10.1016/j.cej.2021.129502
Klomkliang, Nikom, Khongtor, Numphueng, Phadungbut, Poomiwat, Chaemchuen, Somboon and Nicholson, David (2021). Atomic heat contributions for carbon dioxide adsorption in IRMOF-1. Industrial and Engineering Chemistry Research, 60 (34), 12650-12662. doi: 10.1021/acs.iecr.1c01818
Loi, Quang K., Xu, Hui, Do, D. D. and Nicholson, D. (2021). On the description of argon adsorption on graphite for temperatures below the 2D-critical temperature. Colloids and Surfaces A: Physicochemical and Engineering Aspects, 622 126690, 126690. doi: 10.1016/j.colsurfa.2021.126690
Loi, Quang K., Phothong, Krittamet, Do, D.D. and Nicholson, D. (2021). Effects of crystallite stacking on adsorption of ethylene on graphitized thermal carbon black. Microporous and Mesoporous Materials, 323 111202, 1-10. doi: 10.1016/j.micromeso.2021.111202
Xu, Hui, Do, D. D. and Nicholson, D. (2021). On the role of the quadrupole moment of carbon atom on water adsorption on graphite and in graphitic pores. Chemical Engineering Journal, 409 128236. doi: 10.1016/j.cej.2020.128236
Loi, Kim, Horikawa, Toshihide, Do, Duong and Nicholson, David (2021). Characterization of Non-Graphitized Carbon Blacks - A model with Surface Crevices. Physical Chemistry Chemical Physics, 23 (22), 12569-12581. doi: 10.1039/d1cp01631h
Tan, Shiliang (Johnathan), Do, D. D. and Nicholson, D. (2020). Consistency of NVT, NPT, µVT and Gibbs (NV2T and NPT) with kinetic Monte Carlo schemes. Chemical Engineering Journal, 401 126056, 126056. doi: 10.1016/j.cej.2020.126056
Zhang, Han, Tan, Shiliang (Johnathan), Prasetyo, Luisa, Do, D. D. and Nicholson, D. (2020). A simulation study of the low temperature phase diagram of the methane monolayer on graphite: a test of potential energy functions. Physical Chemistry Chemical Physics, 22 (30), 17134-17144. doi: 10.1039/d0cp02720k
Loi, Quang K., Prasetyo, Luisa, (Johnathan) Tan, Shiliang, Do, D. D. and Nicholson, D. (2020). Order-disorder transition of an argon adsorbate in graphitic wedge pores. Chemical Engineering Journal, 384 123286, 123286. doi: 10.1016/j.cej.2019.123286
Dilokekunakul, Waralee, Klomkliang, Nikom, Sakdaronnarong, Chularat, Chaemchuen, Somboon, Do, Duong Dang and Nicholson, David (2019). Structure of methanol sub-monolayer on functionalized graphite at temperatures below the triple point. Colloids and Surfaces A: Physicochemical and Engineering Aspects, 577, 110-117. doi: 10.1016/j.colsurfa.2019.05.048
Liu, Lumeng, Liu, Junjie, Zeng, Yonghong, Tan, Shiliang Johnathan, Do, D. D. and Nicholson, D. (2019). Formaldehyde adsorption in carbon nanopores – new insights from molecular simulation. Chemical Engineering Journal, 370, 866-874. doi: 10.1016/j.cej.2019.03.262
Tan, Shiliang (Johnathan), Loi, Quang K., Do, D. D. and Nicholson, D. (2019). On the canonical isotherms for bulk fluid, surface adsorption and adsorption in pores: a common thread. Journal of Colloid and Interface Science, 548, 25-36. doi: 10.1016/j.jcis.2019.04.018
Tan, Shiliang (Johnathan), Prasetyo, Luisa, Do, D. D. and Nicholson, D. (2019). On the growth of argon clusters on a weak adsorbent decorated with patches. Journal of Colloid and Interface Science, 537, 431-440. doi: 10.1016/j.jcis.2018.11.027
Liu, Lumeng, Zeng, Yonghong, Tan, Shiliang Johnathan, Xu, Hui, Do, D. D., Nicholson, D. and Liu, Junjie (2019). On the mechanism of water adsorption in carbon micropores – a molecular simulation study. Chemical Engineering Journal, 357, 358-366. doi: 10.1016/j.cej.2018.09.160
Zhang, Han, (Johnathan) Tan, Shiliang, Do, D. D. and Nicholson, D. (2019). A re-assessment of the isosteric heat for CCl4 adsorption on graphite. Applied Surface Science, 465, 537-545. doi: 10.1016/j.apsusc.2018.09.198
Loi, Quang K., Prasetyo, Luisa, Tan, Shiliang, Do, D. D. and Nicholson, D. (2019). Nonwetting/prewetting/wetting transition of ammonia on graphite. Langmuir, 35 (3), 641-652. doi: 10.1021/acs.langmuir.8b03634
Loi, Quang K., Horikawa, Toshihide, Tan, Shiliang (Johnathan), Prasetyo, Luisa, Do, D. D. and Nicholson, D. (2019). Characterization of Cabot BP280 with argon and nitrogen adsorption at temperatures above and below the triple point – Energetic vs Structural heterogeneities. Microporous and Mesoporous Materials, 293 109762, 109762. doi: 10.1016/j.micromeso.2019.109762
Tan, Shiliang Johnathan, Prasetyo, Luisa, Do, D. D. and Nicholson, D. (2019). Interplay between wetting and filling of argon adsorption in slit pores with different surface energies transition from filling in micropores to capillary condensation in mesopores. Industrial and Engineering Chemistry Research, 58 (51), 23294-23303. doi: 10.1021/acs.iecr.9b03439
Prasetyo, Luisa, Loi, Quang K., Tan, Shiliang Johnathan, Do, D. D. and Nicholson, D. (2018). Effects of temperature on the transition from clustering to layering for argon adsorption on substrates of different strength - Parametric map of wetting, pre-wetting and non-wetting. Microporous and Mesoporous Materials, 304 109239, 109239. doi: 10.1016/j.micromeso.2018.12.023
Zeng, Yonghong, Xu, Hui, Horikawa, Toshihide, Do, D. D. and Nicholson, D. (2018). Henry constant of water adsorption on functionalized graphite: importance of the potential models of water and functional group. Journal of Physical Chemistry C, 122 (42), 24171-24181. doi: 10.1021/acs.jpcc.8b08036
Liu, Lang, Nicholson, David and Bhatia, Suresh K. (2018). Effects of flange adsorption affinity and membrane porosity on interfacial resistance in carbon nanotube membranes. ACS Applied Materials and Interfaces, 10 (40), 34706-34717. doi: 10.1021/acsami.8b08886
Prasetyo, Luisa, Tan, Shiliang (Johnathan), Akram, Arkanata, Do, D. D. and Nicholson, D. (2018). Cluster growth and coalescence of argon on weakly adsorbing substrates: the origin of the thin-to-thick film transition. Colloids and Surfaces A: Physicochemical and Engineering Aspects, 554, 169-179. doi: 10.1016/j.colsurfa.2018.06.037
Dilokekunakul, Waralee, Klomkliang, Nikom, Supasitmongkol, Somsak, Chaemchuen, Somboon, Do, D. D. and Nicholson, D. (2018). Effects of temperature on methanol adsorption on functionalized graphite: saturation of functional groups. Chemical Engineering Science, 187, 16-26. doi: 10.1016/j.ces.2018.04.063
Zeng, Yonghong, Liu, Lumeng, Zhang, Han, Do, D. D. and Nicholson, D. (2018). A Monte Carlo study of adsorption-induced deformation in wedge-shaped graphitic micropores. Chemical Engineering Journal, 346, 672-681. doi: 10.1016/j.cej.2018.04.076
Tan, Shiliang, Loi, Quang K., Do, D. D. and Nicholson, D. (2018). A new interpretation of chemical potential in adsorption systems and the vapour-liquid interface. Adsorption, 24 (5), 425-430. doi: 10.1007/s10450-018-9957-y
Prasetyo, Luisa, Loi, Quang K., Tan, Shiliang (Johnathan), Do, D. D. and Nicholson, D. (2018). The role of adsorbate size on adsorption of Ne and Xe on graphite. Journal of Colloid and Interface Science, 524, 490-503. doi: 10.1016/j.jcis.2018.03.091
Tan, Shiliang (Johnathan), Do, Duong D. and Nicholson, David (2018). Molecular simulation of volume of mixing, Helmholtz free energy of mixing and entropy of mixing in bulk fluid mixtures. Molecular Simulation, 44 (16), 1312-1324. doi: 10.1080/08927022.2018.1498976
Zeng, Yonghong, Horio, Keiji, Horikawa, Toshihide, Nakai, Kazuyuki, Do, D. D. and Nicholson, D. (2017). On the evolution of the heat spike in the isosteric heat versus loading for argon adsorption on graphite-A new molecular model for graphite & reconciliation between experiment and computer simulation. Carbon, 122, 622-634. doi: 10.1016/j.carbon.2017.07.010
Zeng, Yonghong, Do, D. D. and Nicholson, D. (2016). A novel algorithm to accelerate the convergence of grand canonical Monte Carlo simulation of non-uniform fluids. Molecular Simulation, 43 (4), 1-7. doi: 10.1080/08927022.2016.1261137
Prasetyo, Luisa, Horikawa, Toshihide, Phadungbut, Poomiwat, Tan, Shiliang (Johnathan), Do, D. D. and Nicholson, D. (2016). A GCMC simulation and experimental study of krypton adsorption/desorption hysteresis on a graphite surface. Journal of Colloid and Interface Science, 478, 402-412. doi: 10.1016/j.jcis.2016.06.033
Diao, Rui, Fan, Chunyan, Do, D. D. and Nicholson, D. (2016). On the adsorbate restructuring induced hysteresis of simple gas adsorption in slit micropores. Chemical Engineering Journal, 290, 381-390. doi: 10.1016/j.cej.2016.01.072
Klomkliang, Nikom, Kaewmanee, R., Saimoey, S., Intarayothya, S., Do, D. D. and Nicholson, D. (2016). Adsorption of water and methanol on highly graphitized thermal carbon black: The effects of functional group and temperature on the isosteric heat at low loadings. Carbon, 99, 361-369. doi: 10.1016/j.carbon.2015.12.036
Phadungbut, Poomiwat, Do, D. D. and Nicholson, D. (2016). On the microscopic origin of the hysteresis loop in closed end pores - adsorbate restructuring. Chemical Engineering Journal, 285, 428-438. doi: 10.1016/j.cej.2015.10.008
Zeng, Yonghong, Phadungbut, Poomiwat, Do, D. D. and Nicholson, D. (2015). Wedge pore model as an alternative to the uniform slit pore model for the determination of pore size distribution in activated carbon. Journal of Physical Chemistry C, 119 (46), 25853-25859. doi: 10.1021/acs.jpcc.5b06085
Klomkliang, Nikom, Do, Duong D. and Nicholson, David (2015). Scanning curves in wedge pore with the wide end closed: effects of temperature. AI Ch E Journal, 61 (11), 3936-3943. doi: 10.1002/aic.14905
Tan, Shiliang (Johnathan), Do, D.D. and Nicholson, D. (2015). An efficientmethod to determine chemical potential of mixtures in the isothermal and isobaric bulk phase with kineticMonte Carlo simulation. Molecular Physics, 114 (2), 186-196. doi: 10.1080/00268976.2015.1090634
Nguyen, Van T., Tan, S. Johnathan, Do, D. D. and Nicholson, D. (2015). Application of kinetic Monte Carlo method to the vapour–liquid equilibria of associating fluids and their mixtures. Molecular Simulation, 42 (8), 1-13. doi: 10.1080/08927022.2015.1067809
Phadungbut, Poomiwat, Fan, Chunyan, Do, D. D., Nicholson, D. and Tangsathitkulchai, Chaiyot (2015). Determination of absolute adsorption for argon on flat surfaces under sub- and supercritical conditions. Colloids and Surfaces A: Physicochemical and Engineering Aspects, 480, 19-27. doi: 10.1016/j.colsurfa.2015.04.011
Phadungbut, Poomiwat, Do, D. D. and Nicholson, D. (2015). Undulation theory and analysis of capillary condensation in cylindrical and spherical pores. Journal of Physical Chemistry C, 119 (35), 20433-20445. doi: 10.1021/acs.jpcc.5b04789
Zeng, Yonghong, Tan, Shiliang Johnathan, Do, D. D. and Nicholson, D. (2015). Hysteresis and scanning curves in linear arrays of mesopores with two cavities and three necks. classification of the scanning curves. Colloids and Surfaces A: Physicochemical and Engineering Aspects, 496, 52-62. doi: 10.1016/j.colsurfa.2015.08.023
Fan, C., Nguyen, V., Zeng, Y., Phadungbut, P., Horikawa, Toshihide, Do, D. D. and Nicholson, D. (2015). Novel approach to the characterization of the pore structure and surface chemistry of porous carbon with Ar, N-2, H2O and CH3OH adsorption. Microporous and Mesoporous Materials, 209, 79-89. doi: 10.1016/j.micromeso.2015.01.013
Horikawa, Toshihide, Takenouchi, Masanori, Do, Duong D., Sotowa, Ken-Ichiro, Alcantara-Avila, J. Rafael and Nicholson, David (2015). Adsorption of Water and Methanol on Highly Graphitized Thermal Carbon Black and Activated Carbon Fibre. Australian Journal of Chemistry, 68 (9), 1336-1341. doi: 10.1071/CH15134
Bruschi, Lorenzo, Mistura, Giampaolo, Phadungbut, Poomiwat, Do, D. D., Nicholson, D., Mayamei, Yashar and Lee, Woo (2015). Adsorption on ordered and disordered duplex layers of porous anodic alumina. Langmuir, 31 (17), 4895-4905. doi: 10.1021/acs.langmuir.5b00716
Phadungbut, Poomiwat, Do, D. D., Nicholson, D. and Tangsathitkulchai, Chaiyot (2015). On the phase transition of argon adsorption in an open end slit pore—effects of temperature and pore size. Chemical Engineering Science, 126, 257-266. doi: 10.1016/j.ces.2014.12.038
Zeng, Yonghong, Do, D. D. and Nicholson, D. (2015). Existence of ultrafine crevices and functional groups along the edge surfaces of graphitized thermal carbon black. Langmuir, 31 (14), 4196-4204. doi: 10.1021/acs.langmuir.5b00667
Bruschi, Lorenzo, Mistura, Giampaolo, Nguyen, Phuong T. M., Do, Duong D., Nicholson, David, Park, Sang-Joon and Lee, Woo (2015). Adsorption in alumina pores open at one and at both ends. Nanoscale, 7 (6), 2587-2596. doi: 10.1039/c4nr06469k
Liu, Lang, Nicholson, David and Bhatia, Suresh K. (2015). Impact of H2O on CO2 separation from natural gas: comparison of carbon nanotubes and disordered carbon. Journal of Physical Chemistry C, 119 (1), 407-419. doi: 10.1021/jp5099987
Liu, Lang, Nicholson, David and Bhatia, Suresh K. (2015). Adsorption of CH4 and CH4/CO2 mixtures in carbon nanotubes and disordered carbons: a molecular simulation study. Chemical Engineering Science, 121, 268-278. doi: 10.1016/j.ces.2014.07.041
Fan, Chunyan, Zeng, Yonghong, Do D.D. and Nicholson, D. (2015). A molecular simulation study of adsorption and desorption in closed end slit pores: is there a hysteresis loop?. Chemical Engineering Science, 121, 313-321. doi: 10.1016/j.ces.2014.08.018
Zeng, Yonghong, Phadungbut, Poomiwat, Do, D. D. and Nicholson, D. (2014). Anatomy of adsorption in open-end and closed-end slit mesopores: adsorption, desorption, and equilibrium branches of hysteresis loop. Journal of Physical Chemistry C, 118 (44), 25496-25504. doi: 10.1021/jp507600s
Klomkliang, Nikom, Do, D. D. and Nicholson, D. (2014). Hysteresis loop and scanning curves of argon adsorption in closed-end wedge pores. Langmuir, 30 (43), 12879-12887. doi: 10.1021/la5035992
Phadungbut, Poomiwat, Nguyen, Van T., Do, D. D., Nicholson D. and Tangsathitkulchai, Chaiyot (2014). On the phase transition in a monolayer adsorbed on graphite at temperatures below the 2D-critical temperature. Molecular Simulation, 41 (5-6), 446-454. doi: 10.1080/08927022.2014.958152
Liu, Zhongjun, Nguyen, Van T., Do, D. D. and Nicholson, D. (2014). A Monte Carlo study of equilibrium transition in finite cylindrical pores. Molecular Simulation, 40 (12), 966-975. doi: 10.1080/08927022.2013.829230
Nguyen, Van T., Do, D. D. and Nicholson, D. (2014). Reconciliation of different simulation methods in the determination of the equilibrium branch for adsorption in pores. Molecular Simulation, 40 (7-9), 713-720. doi: 10.1080/08927022.2013.829229
Fan, Chunyan, Zeng, Yonghong, Do, D.D. and Nicholson, D. (2014). An undulation theory for condensation in open end slit pores: Critical hysteresis temperature and critical hysteresis pore size. Physical Chemistry Chemical Physics, 16 (24), 12362-12373. doi: 10.1039/c4cp00848k
Klomkliang, Nikom, Do, D.D. and Nicholson, D. (2014). Effects of temperature, pore dimensions and adsorbate on the transition from pore blocking to cavitation in an ink-bottle pore. Chemical Engineering Journal, 239, 274-283. doi: 10.1016/j.cej.2013.11.019
Zeng, Yonghong, Fan, Chunyan, Do, D. D. and Nicholson, D. (2014). Condensation and evaporation in slit-shaped pores: Effects of adsorbate layer structure and temperature. Journal of Physical Chemistry C, 118 (6), 3172-3180. doi: 10.1021/jp412376w
Fan, Chunyan, Do, D. D. and Nicholson, D. (2014). On the existence of a hysteresis loop in open and closed end pores. Molecular Simulation, 41 (4), 245-255. doi: 10.1080/08927022.2013.869805
Fan, C., Do, D. D., Nicholson, D. and Ustinov, E. (2014). Chemical potential, Helmholtz free energy and entropy of argon with kinetic Monte Carlo simulation. Molecular Physics, 112 (1), 60-73. doi: 10.1080/00268976.2013.798696
Nguyen, Van T., Do, D. D. and Nicholson, D. (2014). A new molecular model for water adsorption on graphitized carbon black. Carbon, 66, 629-636. doi: 10.1016/j.carbon.2013.09.059
Zeng, Yonghong, Fan, Chunyan, Do, D. D. and Nicholson, D. (2014). Evaporation from an ink-bottle pore: mechanisms of adsorption and desorption. Industrial and Engineering Chemistry Research, 53 (40), 15467-15474. doi: 10.1021/ie500215x
Klomkliang, Nikom, Do, D. D. and Nicholson, D. (2013). On the hysteresis loop and equilibrium transition in slit-shaped ink-bottle pores. Adsorption-Journal of the International Adsorption Society, 19 (6), 1273-1290. doi: 10.1007/s10450-013-9569-5
Nickmand, Zahra, Do, D. D., Nicholson, D., Aghamiri, Seyed Foad, Khozanie, Mohammad Reza Talaie and Sabzyan, Hasan (2013). GCMC simulation of argon adsorption in wedge shaped mesopores of finite length. Adsorption-Journal of the International Adsorption Society, 19 (6), 1245-1252. doi: 10.1007/s10450-013-9565-9
Nguyen, Van T., Fan, Chunyan, Razak, Mu'sab Abdul, Do, D. D., Nicholson, D. and Ustinov, E. (2013). Development of kinetic Monte Carlo and Bin-Monte Carlo schemes for simulation of mixtures - vapor-liquid equilibria and adsorption. Chemical Engineering Science, 102, 220-226. doi: 10.1016/j.ces.2013.07.041
Fan, Chunyan, Do, D. D. and Nicholson, D. (2013). On the hysteresis of argon adsorption in a uniform closed end slit pore. Journal of Colloid and Interface Science, 405, 201-210. doi: 10.1016/j.jcis.2013.04.052
Nguyen, Van T., Do, D. D. and Nicholson, D. (2013). Microscopic configurations of methanol molecules in graphitic slit micropores: a computer simulation study. Journal of Colloid and Interface Science, 396, 215-226. doi: 10.1016/j.jcis.2013.01.026
Nguyen, Phuong T. M., Fan, Chunyan, Do, D. D. and Nicholson, D. (2013). On the cavitation-like pore blocking in ink-bottle pore: evolution of hysteresis loop with neck size. Journal of Physical Chemistry C, 117 (10), 5475-5484. doi: 10.1021/jp4002912
Fan, Chunyan, Do, D. D., Nicholson, D. and Ustinoy, E. (2013). A novel application of kinetic Monte Carlo method in the description of N-2 vapour-liquid equilibria and adsorption. Chemical Engineering Science, 90, 161-169. doi: 10.1016/j.ces.2012.12.040
Nguyen, Phuong T. M., Do, D. D. and Nicholson, D. (2013). On the irreversibility of the adsorption isotherm in a closed-end pore. Langmuir, 29 (9), 2927-2934. doi: 10.1021/la304876m
Wang, Yao, Do, D. D., Herrera, L. F. and Nicholson, D. (2013). On the condensation/evaporation pressures and isosteric heats for argon adsorption in pores of different cross-sections. Colloids and Surfaces A-Physicochemical and Engineering Aspects, 420, 96-102. doi: 10.1016/j.colsurfa.2012.12.033
Razak, Mus'ab Abdul, Do, D. D., Horikawa, Toshihide, Tsuji, Keita and Nicholson, D. (2013). On the description of isotherms of CH4 and C2H4 adsorption on graphite from subcritical to supercritical conditions. Adsorption, 19 (1), 131-142. doi: 10.1007/s10450-012-9433-z
Fan, Chunyan, Do, D. D., Nicholson, D., Jagiello, Jacek, Kenvin, Jeffrey and Puzan, Marissa (2013). Monte Carlo simulation and experimental studies on the low temperature characterization of nitrogen adsorption on graphite. Carbon, 52, 158-170. doi: 10.1016/j.carbon.2012.09.017
Klomkliang, Nikom, Do, D. D. and Nicholson, D. (2013). On the hysteresis and equilibrium phase transition of argon and benzene adsorption in finite slit pores: Monte Carlo vs. Bin-Monte Carlo. Chemical Engineering Science, 87, 327-337. doi: 10.1016/j.ces.2012.11.003
Nguyen, Van T., Do, D. D. and Nicholson, D. (2012). Solid deformation induced by the adsorption of methane and methanol under sub- and supercritical conditions. Journal of Colloid and Interface Science, 388 (1), 209-218. doi: 10.1016/j.jcis.2012.08.021
Fan, Chunyan, Do, D.D. and Nicholson, D. (2012). The concept of mean free path in the kinetic Monte Carlo description of bulk fluid behaviour, vapour-liquid equilibria and surface adsorption of argon. Molecular Simulation, 38 (12), 1001-1009. doi: 10.1080/08927022.2012.682280
Nguyen, Van T., Do, D. D., Nicholson, D. and Ustinov, E. A. (2012). Application of the kinetic Monte Carlo method in the microscopic description of argon adsorption on graphite. Molecular Physics, 110 (18), 2281-2294. doi: 10.1080/00268976.2012.675450
Wang, Yao, Razak, Musab Abdul, Do, D.D., Horikawa, Toshihide, Morishige, Kunimitsu and Nicholson, D. (2012). A computer simulation and experimental study of the difference between krypton adsorption on a graphite surface and in a graphitic hexagonal pore. Carbon, 50 (8), 2908-2917. doi: 10.1016/j.carbon.2012.02.060
Nguyen, Phuong T. M., Do, D. D. and Nicholson, D. (2012). Computer simulation of benzene-water mixture adsorption in graphitic slit pores. The Journal of Physical Chemistry C, 116 (26), 13954-13963. doi: 10.1021/jp301729x
Fan, Chunyan, Do, D. D. and Nicholson, D. (2012). A new and effective Bin-Monte Carlo scheme to study vapour-liquid equilibria and vapour-solid equilibria. Fluid Phase Equilibria, 325, 53-65. doi: 10.1016/j.fluid.2012.04.006
Klomkliang, N., Do, DD and Nicholson, D. (2012). Affinity and packing of benzene, toluene, and p-Xylene adsorption on a graphitic surface and in pores. Industrial and Engineering Chemistry Research, 51 (14), 5320-5329. doi: 10.1021/ie300121p
Liu, Zhongjun, Do, Duong Dang and Nicholson, David (2012). A thermodynamic study of the mid-density scheme to determine the equilibrium phase transition in cylindrical pores. Molecular Simulation, 38 (3), 189-199. doi: 10.1080/08927022.2011.613383
Liu, Zhongjun, Horikawa, Toshihide, Do, D. D. and Nicholson, D. (2012). Packing effects on argon and methanol adsorption inside graphitic cylindrical and slit pores: A GCMC simulation study. Journal of Colloid and Interface Science, 368 (1), 474-487. doi: 10.1016/j.jcis.2011.10.046
Klomkliang, Nikom, Do, D. D., Nicholson, D., Tangsathitkulchai, C. and Wongkoblap, A. (2012). Multilayer adsorption of benzene on graphitised thermal carbon black-The importance of quadrupole and explicit hydrogen in the potential model. Chemical Engineering Science, 69 (1), 472-482. doi: 10.1016/j.ces.2011.11.001
Herrera, L. F., Fan, Chunyan, Nguyen, Van, Do, D. D., Horikawa, T. and Nicholson, D. (2012). A self-consistent method to determine accessible volume, area and pore size distribution (APSD) of BPL, Norit and AX-21 activated carbon. Carbon, 50 (2), 500-509. doi: 10.1016/j.carbon.2011.09.004
Bhatia, Suresh K. and Nicholson, David (2012). On the non-equilibrium nature of the nanopore fluid. Molecular Simulation, 38 (14-15), 1251-1264. doi: 10.1080/08927022.2012.685942
Bhatia, S.K. and Nicholson, D. (2012). Adsorption and diffusion of methane in silica nanopores: A comparison of single-site and five-site models. Journal of Physical Chemistry C, 116 (3), 2344-2355. doi: 10.1021/jp210593d
Fan, Chunyan, Razak, Musab Abdul, Do, D.D. and Nicholson, David (2012). On the identification of the sharp spike in the heat curve for Argon, Nitrogen, and Methane Adsorption on Graphite: Reconciliation between computer simulation and experiments. Journal of Physical Chemistry C, 116 (1), 953-962. doi: 10.1021/jp209512n
Horikawa, Toshihide, Do, D. D. and Nicholson, D. (2011). Capillary condensation of adsorbates in porous materials. Advances in Colloid and Interface Science, 169 (1), 40-58. doi: 10.1016/j.cis.2011.08.003
Do, D. D., Nicholson, D. and Fan, C. Y. (2011). Development of equations for differential and integral enthalpy change of adsorption for simulation studies. Langmuir, 27 (23), 14290-14299. doi: 10.1021/la203531j
Razak, Mus’ab Abdul, Nguyen, Van T., Herrera, L. F., Do, D. D. and Nicholson, D. (2011). Microscopic analysis of adsorption in slit-like pores: Layer fluctuations of particle number, layer isosteric heat and histogram of particle number. Molecular Simulation, 37 (12), 1031-1043. doi: 10.1080/08927022.2011.586349
Nguyen, Phuong T. M., Do, D. D. and Nicholson, D. (2011). On the cavitation and pore blocking in cylindrical pores with simple connectivity. The Journal of Physical Chemistry B, 115 (42), 12160-12172. doi: 10.1021/jp2068304
Liu, Zhongjun, Herrera, L., Nguyen, Van T ., Do, D.D. and Nicholson, D. (2011). A Monte Carlo scheme based on mid-density in a hysteresis loop to determine equilibrium phase transition. Molecular Simulation, 37 (11), 932-939. doi: 10.1080/08927022.2011.578135
Fan, Chunyan, Do, D. D. and Nicholson, D. (2011). New Monte Carlo simulation of adsorption of gases on surfaces and in pores: A concept of multibins. Journal of Physical Chemistry B, 115 (35), 10509-10517. doi: 10.1021/jp205497s
Liu, Zhongjun, Do, D. D. and Nicholson, D. (2011). Effects of confinement on the molar enthalpy of argon adsorption in graphitic cylindrical pores: A grand canonical Monte Carlo (GCMC) simulation study. Journal of Colloid and Interface Science, 361 (1), 278-287. doi: 10.1016/j.jcis.2011.05.072
Nguyen, Van T., Do, D. D., Nicholson, D. and Jagiello, J. (2011). Effects of temperature on adsorption of methanol on graphitized thermal carbon black : A computer simulation and experimental study. Journal of Physical Chemistry C, 115 (32), 16142-16149. doi: 10.1021/jp205498p
Wang, Yao, Nguyen, Phuong T. M., Sakao, Noriyuki, Horikawa, Toshihide, Do, D. D., Morishige, Kunimitsu and Nicholson, D. (2011). Characterization of a new solid having graphitic hexagonal pores with a GCMC technique. Journal of Physical Chemistry C, 115 (27), 13361-13372. doi: 10.1021/jp203264x
Nguyen, Van T., Do, D. D. and Nicholson, D. (2011). Monte Carlo simulation of the gas-phase volumetric adsorption system: effects of dosing volume size, incremental dosing amount, pore shape and size, and temperature. Journal of Physical Chemistry B, 115 (24), 7862-7871. doi: 10.1021/jp202073r
Wang, Yao, Do, D.D. and Nicholson, D. (2011). Study of heat of adsorption across the capillary condensation in cylindrical pores. Colloids and Surfaces A: Physicochemical and Engineering Aspects, 380 (1-3), 66-78. doi: 10.1016/j.colsurfa.2011.02.016
Wongkoblap, A., Do, D. D., Birkett, G. and Nicholson, D. (2011). A critical assessment of capillary condensation and evaporation equations: a computer simulation study. Journal of Colloid and Interface Science, 356 (2), 672-680. doi: 10.1016/j.jcis.2011.01.074
Herrera, L. F., Fan, Chunyan, Do, D. D. and Nicholson, D. (2011). Novel method to determine accessible volume, area, and pore size distribution of activated carbon. Industrial and Engineering Chemistry Research, 50 (7), 4150-4160. doi: 10.1021/ie102169u
Fan, Chunyan, Do, D. D. and Nicholson, D. (2011). On the cavitation and pore blocking in slit-shaped ink-bottle pores. Langmuir, 27 (7), 3511-3526. doi: 10.1021/la104279v
Do, D. D., Herrera, L. F. and Nicholson, D. (2011). A method for the determination of accessible surface area, pore volume, pore size and its volume distribution for homogeneous pores of different shapes. Adsorption, 17 (2), 325-335. doi: 10.1007/s10450-010-9314-2
Nguyen, Phuong T. M., Do, D. D. and Nicholson, D. (2011). On the hysteresis loop of argon adsorption in cylindrical pores. Journal of Physical Chemistry C, 115 (11), 4706-4720. doi: 10.1021/jp111254j
Herrera, L. F., Fan, Chunyan, Do, D. D. and Nicholson, D. (2011). A novel and consistent method (TriPOD) to characterize an arbitrary porous solid for its accessible volume, accessible geometrical surface area and accessible pore size. Adsorption, 17 (1), 55-68. doi: 10.1007/s10450-010-9289-z
Nguyen, Van T., Do, D. D. and Nicholson, D. (2010). On the heat of adsorption at layering transitions in adsorption of noble gases and nitrogen on graphite. The Journal of Physical Chemistry Part C: Nanomaterials, Interfaces and Hard Matter, 114 (50), 22171-22180. doi: 10.1021/jp107273y
Herrera, L. F., Fan, Chunyan, Do, D. D. and Nicholson, D. (2010). Monte Carlo optimization scheme to determine the physical properties of porous and nonporous solids. Langmuir, 26 (19), 15278-15288. doi: 10.1021/la102017t
Fan, CY, Do, DD, Li, ZL and Nicholson, D (2010). Computer simulation of argon adsorption on graphite surface from subcritical to supercritical conditions: The behavior of differential and integral molar enthalpies of adsorption. Langmuir, 26 (20), 15852-15864. doi: 10.1021/la1024857
Herrera, L., Do, D.D. and Nicholson, D. (2010). A Monte Carlo integration method to determine accessible volume, accessible surface area and its fractal dimension. Journal of Colloid and Interface Science, 348 (2), 529-536. doi: 10.1016/j.jcis.2010.05.001
Bhatia, Suresh K. and Nicholson, David (2010). Comments on "Diffusion in a mesoporous silica membrane: Validity of the Knudsen diffusion model" by Ruthven, D.M., et al., Chem. Eng. Sci. 64 (2009) 3201-3203. Chemical Engineering Science, 65 (15), 4519-4520. doi: 10.1016/j.ces.2010.04.031
Liu, Zhongjun, Do, D. D., Nicholson, D. and Xi, Zhengping (2010). Effects of surface curvature and surface strength on argon adsorption in carbon nanotubes at temperatures below the triple point. Adsorption Science and Technology, 28 (7), 561-577. doi: 10.1260/0263-6174.28.7.561
Lim, Young-Il, Bhatia, Suresh K., Nguyen, Thanh Xuan and Nicholson, David (2010). Prediction of carbon dioxide permeability in carbon slit pores. Journal of Membrane Science, 355 (1-2), 186-199. doi: 10.1016/j.memsci.2010.03.030
Do, D.D., Do, H.D. and Nicholson, D. (2010). A computer appraisal of BET theory, BET surface area and the calculation of surface excess for gas adsorption on a graphite surface. Chemical Engineering Science, 65 (10), 3331-3340. doi: 10.1016/j.ces.2010.02.023
Fan, Chunyan, Herrera, L. F., Do, D. D. and Nicholson, D. (2010). New method to determine surface area and its energy distribution for nonporous solids: A computer simulation and experimental study. Langmuir, 26 (8), 5610-5623. doi: 10.1021/la9043107
Do, D. D., Do, H. D., Fan, Chunyan and Nicholson, D. (2010). On the existence of negative excess isotherms for argon adsorption on graphite surfaces and in graphitic pores under supercritical conditions at pressures up to 10,000 atm. Langmuir, 26 (7), 4796-4806. doi: 10.1021/la903549f
Do, D., Nicholson, D and Do, H. (2009). Adsorption in micropores (nanopores): a computer appraisal of the Dubinin equations. MOLECULAR SIMULATION, 35 (1-2), 122-137. doi: 10.1080/08927020802331349
Nicholson, D. and Bhatia, S. K. (2009). Fluid transport in nanospaces. Molecular Simulation, 35 (1-2), 109-121. doi: 10.1080/08927020802301912
Do, D., Do, H. and Nicholson, D. (2009). Molecular Simulation of Excess Isotherm and Excess Enthalpy Change in Gas-Phase Adsorption. JOURNAL OF PHYSICAL CHEMISTRY B, 113 (4), 1030-1040. doi: 10.1021/jp8046467
Bhatia, Suresh K. and Nicholson, David (2008). Friction based modeling of multicomponent transport at the nanoscale. Journal of Chemical Physics, 129 (16) 164709, 164709-1-164709-12. doi: 10.1063/1.2996517
Do, D. D., Nicholson, D. and Do, H. D. (2008). On the Henry constant and isosteric heat at zero loading in gas phase adsorption. Journal of Colloid and Interface Science, 324 (1-2), 15-24. doi: 10.1016/j.jcis.2008.05.028
Bhatia, Suresh K. and Nicholson, David (2008). Modeling mixture transport at the nanoscale: Departure from existing paradigms. Physical Review Letters, 100 (23) 236103, 236103-1-236103-4. doi: 10.1103/PhysRevLett.100.236103
Nicholson, David and Nicholson, Lindsay B. (2008). A simple immune system simulation reveals optimal movement and cell density parameters for successful target clearance. Immunology, 123 (4), 519-527. doi: 10.1111/j.1365-2567.2007.02721.x
Wongkoblap, A., Do, D. D. and Nicholson, D. (2008). Explanation of the unusual peak of calorimetric heat in the adsorption of nitrogen, argon and methane on graphitized thermal carbon black. Physical Chemistry Chemical Physics, 10 (8), 1106-1113. doi: 10.1039/b714478d
Do, D. D., Do, H. D., Wongkoblap, A. and Nicholson, D. (2008). Henry constant and isosteric heat at zero-loading for gas adsorption in carbon nanotubes. Physical Chemistry Chemical Physics, 10 (48), 7293-7303. doi: 10.1039/b809022j
Do, D.D., Nicholson, D. and Do, H.D. (2008). On the anatomy of the adsorption heat versus loading as a function of temperature and adsorbate for a graphitic surface. Journal of Colloid and Interface Science, 325 (1), 7-22. doi: 10.1016/j.jcis.2008.05.027
Do, D.D., Nicholson, D. and Do, H.D. (2008). Effects of adsorbent deformation on the adsorption of gases in slitlike graphitic pores: A computer simulation study. JOURNAL OF PHYSICAL CHEMISTRY C, 112 (36), 14075-14089. doi: 10.1021/jp8032269
Do, D.D., Do, H.D. and Nicholson, D. (2007). Effects of surface structure and temperature on the surface mediation, layer concentration and molecular projection area: Adsorption of argon and nitrogen onto graphitized thermal carbon black. Adsorption Science and Technology, 25 (6), 347-363. doi: 10.1260/026361707783908319
Bhatia, S. K. and Nicholson, D. (2007). Anomalous transport in molecularly confined spaces. Journal of Chemical Physics, 127 (12) 124701, 124701-1-124701-11. doi: 10.1063/1.2768969
Bhatia, S. K. and Nicholson, D. (2006). Transport of simple fluids in nanopores: Theory and simulation. Aiche Journal, 52 (1), 29-38. doi: 10.1002/aic.10580
Bhatia, S. and Nicholson, D. (2006). Scattering and tangential momentum accommodation at a 2D adsorbate-solid interface. Journal Of Membrane Science, 275 (1-2), 244-254. doi: 10.1016/j.memsci.2005.09.023
Nicholson, David and Bhatia, Suresh K. (2005). Momentum transfer effects in the transport of adsorbate at a nano-patterned surface. Adsorption Science & Technology, 23 (8), 633-642. doi: 10.1260/026361705775373251
Nguyen, T. X., Bhatia, S. K. and Nicholson, D. (2005). Prediction of high-pressure adsorption equilibrium of supercritical gases using density functional theory. Langmuir, 21 (7), 3187-3197. doi: 10.1021/la047545h
Bhatia, S. K., Jepps, O. G. and Nicholson, D. (2005). Adsorbate transport in nanopores. Adsorption, 11 (Supplement 1), 443-447. doi: 10.1007/s10450-005-5965-9
Bhatia, S. K., Tran, K., Nguyen, T. X. and Nicholson, D. (2004). High-pressure adsorption capacity and structure of CO2 in carbon slit pores: Theory and simulation. Langmuir, 20 (22), 9612-9620. doi: 10.1021/la048571i
Bhatia, Suresh K., Jepps, Owen and Nicholson, David (2004). Tractable molecular theory of transport of Lennard-Jones fluids in nanopores. Journal of Chemical Physics, 120 (9), 4472-4485. doi: 10.1063/1.1644108
Qiao, S. Z., Bhatia, S. K. and Nicholson, D. (2004). Study of hexane adsorption in nanoporous MCM-41 silica. Langmuir, 20 (2), 389-395. doi: 10.1021/la0353430
Bhatia, Suresh K. and Nicholson, David (2003). Hydrodynamic origin of diffusion in nanopores. Physical Review Letters, 90 (1). doi: 10.1103/PhysRevLett.90.016105
Bhatia, S. K. and Nicholson, D. (2003). Hydrodynamic origin of diffusion in nanopores. Physical Review Letters, 90 (1), 1-4. doi: 10.1103/PhysRevLett.90.016105
Bhatia, S. K. and Nicholson, D. (2003). Molecular transport in nanopores. Journal of Chemical Physics, 119 (3), 1719-1730. doi: 10.1063/1.1580797
Nguyen, T. X., Bhatia, S. K. and Nicholson, D. (2002). Close packed transitions in slit-shaped pores: Density functional theory study of methane adsorption capacity in carbon. Journal of Chemical Physics, 117 (23), 10827-10836. doi: 10.1063/1.1522402
Nguyen, T., Bhatia, S. and Nicholson, D. (2002). Packing Transitions of Lennard Jones fluids in carbon slit pores. Annales Universitatis Marie-Curie Sklodowska, 7, 158-177.
Conference Papers
Do, D.D., Herrera, L., Fan, C.Y., Wongkoblap, A. and Nicholson, D. (2010). The role of accessibility in the characterization of porous solids and their adsorption properties. 5th Pacific Basin Conference on Adsorption Science and Technology, Singapore, 25-27 May, 2009. Dordrecht, The Netherlands: Kluwer. doi: 10.1007/s10450-009-9203-8
Nicholson D. and Do D. (2007). On the crossing of low temperature adsorption isotherms of argon on graphite surface. 2007 AIChE Annual Meeting, Salt Lake City, UT, November 4, 2007-November 9, 2007.
Do, D. D., Nicholson, D. and Do, H. D. (2007). Heat of adsorption and density distribution in slit pores with defective walls: GCMC simulation studies and comparison with experimental data. Sixth International Symposium on Effects of surface heterogeneity in adsorption and catalysis on solids - ISSHAC-VI, Zakopane, Poland, 28 August - 2 September 2007. Amsterdam: Elsevier BV, North-Holland. doi: 10.1016/j.apsusc.2006.12.057
Bhatia, S. and Nicholson, D. (2003). Computer simulation of transport in cylindrical mesopores. Proceedings of the Third Pacific Basin Conference on Adsorption Science and Technology, Korea, 25-29 May 2003. Singapore: World Scientific. doi: 10.1142/9789812704320_0014