Don MacElroy
Don MacElroy
Professor of Chemical Engineering, University College Dublin
Verified email at
Cited by
Cited by
Nonequilibrium molecular dynamics simulation of diffusion and flow in thin microporous membranes
JMD MacElroy
The Journal of chemical physics 101 (6), 5274-5280, 1994
Activation of hematite nanorod arrays for photoelectrochemical water splitting
R Morrish, M Rahman, JMD MacElroy, CA Wolden
ChemSusChem 4 (4), 474-479, 2011
Molecular dynamics simulations of microwave heating of water
NJ English, JMD MacElroy
The Journal of chemical physics 118 (4), 1589-1592, 2003
Perspectives on molecular simulation of clathrate hydrates: Progress, prospects and challenges
NJ English, JMD MacElroy
Chemical Engineering Science 121, 133-156, 2015
Theoretical studies of the kinetics of methane hydrate crystallization in external electromagnetic fields
NJ English, JMD MacElroy
The Journal of chemical physics 120 (21), 10247-10256, 2004
Adsorption and diffusion of a Lennard‐Jones vapor in microporous silica
JMD MacElroy, K Raghavan
The Journal of chemical physics 93 (3), 2068-2079, 1990
Hydrogen bonding and molecular mobility in liquid water in external electromagnetic fields
NJ English, JMD MacElroy
The Journal of chemical physics 119 (22), 11806-11813, 2003
Dependence of the solvent diffusion coefficient on concentration in polymer solutions
RA Waggoner, FD Blum, JMD MacElroy
Macromolecules 26 (25), 6841-6848, 1993
Carbon-Doped TiO2 and Carbon, Tungsten-Codoped TiO2 through Sol–Gel Processes in the Presence of Melamine Borate: Reflections through Photocatalysis
EM Neville, MJ Mattle, D Loughrey, B Rajesh, M Rahman, JMD MacElroy, ...
The Journal of Physical Chemistry C 116 (31), 16511-16521, 2012
Photolytic water oxidation catalyzed by a molecular carbene iridium complex
A Petronilho, M Rahman, JA Woods, H Al-Sayyed, H Müller-Bunz, ...
Dalton Transactions 41 (42), 13074-13080, 2012
Structural and dynamical properties of methane clathrate hydrates
NJ English, JMD MacElroy
Journal of computational chemistry 24 (13), 1569-1581, 2003
Molecular dynamics study of water in contact with the TiO2 rutile-110, 100, 101, 001 and anatase-101, 001 surface
RS Kavathekar, P Dev, NJ English, JMD MacElroy
Molecular Physics 109 (13), 1649-1656, 2011
A theoretical study of the phase diagrams of simple fluids confined within narrow pores
EV Votyakov, YK Tovbin, JMD MacElroy, A Roche
Langmuir 15 (18), 5713-5721, 1999
A comprehensive review on the application of aerogels in CO2-adsorption: Materials and characterisation
L Keshavarz, MR Ghaani, JMD MacElroy, NJ English
Chemical Engineering Journal 412, 128604, 2021
Nonequilibrium molecular dynamics simulation of a model carbon membrane separation of CH4/H2 mixtures
JMD MacElroy, MJ Boyle
Chemical Engineering Journal 74 (1-2), 85-97, 1999
The molecular sieving mechanism in carbon molecular sieves: a molecular dynamics and critical path analysis
NA Seaton, SP Friedman, JMD MacElroy, BJ Murphy
Langmuir 13 (5), 1199-1204, 1997
Computer simulation of moderately dense hard-sphere fluids and mixtures in microcapillaries
JMD MacElroy, SH Suh
Molecular Physics 60 (2), 475-501, 1987
Deposition and characterization of NiOx coatings by magnetron sputtering for application in dye-sensitized solar cells
M Awais, M Rahman, JMD MacElroy, N Coburn, D Dini, JG Vos, ...
Surface and Coatings Technology 204 (16-17), 2729-2736, 2010
Microwave Parallel Library Generation:  Comparison of a Conventional- and Microwave-Generated Substituted 4(5)-Sulfanyl-1H-imidazole Library
CM Coleman, JMD MacElroy, JF Gallagher, DF O'Shea
Journal of Combinatorial Chemistry 4 (1), 87-93, 2002
Molecular modeling of thermo-responsive hydrogels: observation of lower critical solution temperature
S Deshmukh, DA Mooney, T McDermott, S Kulkarni, JMD MacElroy
Soft Matter 5 (7), 1514-1521, 2009
The system can't perform the operation now. Try again later.
Articles 1–20