Allan D. Mackie
TítolCitada perAny
Dissipative particle dynamics with energy conservation
JB Avalos, AD Mackie
EPL (Europhysics Letters) 40 (2), 141, 1997
1981997
Aggregation behavior of a lattice model for amphiphiles
AD Mackie, AZ Panagiotopoulos, I Szleifer
Langmuir 13 (19), 5022-5031, 1997
1731997
Critical point estimation of the Lennard-Jones pure fluid and binary mixtures
J Pérez-Pellitero, P Ungerer, G Orkoulas, AD Mackie
The Journal of chemical physics 125 (5), 054515, 2006
952006
Vapour-liquid phase equilibria predictions of methane–alkane mixtures by Monte Carlo simulation
AD Mackie, B Tavitian, A Boutin, AH Fuchs
Molecular Simulation 19 (1), 1-15, 1997
931997
Thermodynamic and transport properties of carbon dioxide from molecular simulation
C Nieto-Draghi, T de Bruin, J Pérez-Pellitero, J Bonet Avalos, AD Mackie
The Journal of chemical physics 126 (6), 064509, 2007
752007
Monte Carlo simulations of phase equilibria for a lattice homopolymer model
AD Mackie, AZ Panagiotopoulos, SK Kumar
The Journal of chemical physics 102 (2), 1014-1023, 1995
751995
Dissipative particle dynamics with energy conservation: Modelling of heat flow
AD Mackie, JB Avalos, V Navas
Physical Chemistry Chemical Physics 1 (9), 2039-2049, 1999
721999
Extension of the anisotropic united atoms intermolecular potential to amines, amides and alkanols: Application to the problems of the 2004 Fluid Simulation Challenge
Y Boutard, P Ungerer, JM Teuler, MG Ahunbay, SF Sabater, ...
Fluid phase equilibria 236 (1-2), 25-41, 2005
592005
Phase equilibria of a lattice model for an oil–water–amphiphile mixture
AD Mackie, K Onur, AZ Panagiotopoulos
The Journal of chemical physics 104 (10), 3718-3725, 1996
591996
Dynamic and transport properties of dissipative particle dynamics with energy conservation
JB Avalos, AD Mackie
The Journal of chemical physics 111 (11), 5267-5276, 1999
551999
Optimized intermolecular potential for aromatic hydrocarbons based on anisotropic united atoms. III. Polyaromatic and naphthenoaromatic hydrocarbons
MG Ahunbay, J Perez-Pellitero, RO Contreras-Camacho, JM Teuler, ...
The Journal of Physical Chemistry B 109 (7), 2970-2976, 2005
542005
Optimized intermolecular potential for aromatic hydrocarbons based on anisotropic united atoms. 1. Benzene
RO Contreras-Camacho, P Ungerer, A Boutin, AD Mackie
The Journal of Physical Chemistry B 108 (37), 14109-14114, 2004
542004
Optimized intermolecular potential for aromatic hydrocarbons based on anisotropic united atoms. 2. Alkylbenzenes and styrene
RO Contreras-Camacho, P Ungerer, MG Ahunbay, V Lachet, ...
The Journal of Physical Chemistry B 108 (37), 14115-14123, 2004
412004
Accurate critical micelle concentrations from a microscopic surfactant model
A Gezae Daful, VA Baulin, J Bonet Avalos, AD Mackie
The Journal of Physical Chemistry B 115 (13), 3434-3443, 2011
402011
Vapour-liquid coexistence curves of the united-atom and anisotropic united-atom force fields for alkane mixtures
J Delhommelle, A Boutin, B Tavitian, AD Mackie, AH Fuchs
Molecular Physics 96 (10), 1517-1524, 1999
401999
A transferable force field to predict phase equilibria and surface tension of ethers and glycol ethers
N Ferrando, V Lachet, J Pérez-Pellitero, AD Mackie, P Malfreyt, A Boutin
The Journal of Physical Chemistry B 115 (36), 10654-10664, 2011
392011
Molecular dynamics simulation of acid gas mixtures: A comparison between several approximations
G Galliero, C Nieto-Draghi, C Boned, JB Avalos, AD Mackie, A Baylaucq, ...
Industrial & engineering chemistry research 46 (15), 5238-5244, 2007
362007
Model shape transitions of micelles: spheres to cylinders and disks
AG Daful, JB Avalos, AD Mackie
Langmuir 28 (8), 3730-3743, 2012
342012
Sphere-to-rod transitions of micelles in model nonionic surfactant solutions
ZA Al-Anber, J Bonet i Avalos, MA Floriano, AD Mackie
The Journal of chemical physics 118 (8), 3816-3826, 2003
342003
Monte Carlo simulation of self-assembled ordered hybrid materials
A Patti, AD Mackie, FR Siperstein
Langmuir 23 (12), 6771-6780, 2007
332007
En aquests moments el sistema no pot dur a terme l'operació. Torneu-ho a provar més tard.
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