Tim Totton
Tim Totton
University of Cambridge
Verified email at uk.bp.com - Homepage
Title
Cited by
Cited by
Year
Modelling the internal structure of nascent soot particles
TS Totton, D Chakrabarti, AJ Misquitta, M Sander, DJ Wales, M Kraft
Combustion and Flame 157 (5), 909-914, 2010
1172010
A quantitative study of the clustering of polycyclic aromatic hydrocarbons at high temperatures
TS Totton, AJ Misquitta, M Kraft
Physical chemistry chemical physics 14 (12), 4081-4094, 2012
1042012
Coarse grained force field for the molecular simulation of natural gases and condensates
C Herdes, TS Totton, EA Müller
Fluid Phase Equilibria 406, 91-100, 2015
712015
New polycyclic aromatic hydrocarbon (PAH) surface processes to improve the model prediction of the composition of combustion-generated PAHs and soot
A Raj, PLW Man, TS Totton, M Sander, RA Shirley, M Kraft
Carbon 48 (2), 319-332, 2010
652010
Simulation of asphaltene aggregation through molecular dynamics: Insights and limitations
TF Headen, ES Boek, G Jackson, TS Totton, EA Müller
Energy & Fuels 31 (2), 1108-1125, 2017
602017
A first principles development of a general anisotropic potential for polycyclic aromatic hydrocarbons
TS Totton, AJ Misquitta, M Kraft
Journal of Chemical Theory and Computation 6 (3), 683-695, 2010
602010
Size-dependent melting of polycyclic aromatic hydrocarbon nano-clusters: A molecular dynamics study
D Chen, TS Totton, JWJ Akroyd, S Mosbach, M Kraft
Carbon 67, 79-91, 2014
402014
Computational methodology for solubility prediction: Application to the sparingly soluble solutes
L Li, T Totton, D Frenkel
The Journal of Chemical Physics 146 (21), 214110, 2017
372017
A transferable electrostatic model for intermolecular interactions between polycyclic aromatic hydrocarbons
TS Totton, AJ Misquitta, M Kraft
Chemical Physics Letters 510 (1-3), 154-160, 2011
312011
First-Principles Thermochemistry for the Combustion of a TiCl4 and AlCl3 Mixture
R Shirley, Y Liu, TS Totton, RH West, M Kraft
The Journal of Physical Chemistry A 113 (49), 13790-13796, 2009
282009
Phase change of polycyclic aromatic hydrocarbon clusters by mass addition
D Chen, TS Totton, J Akroyd, S Mosbach, M Kraft
Carbon 77, 25-35, 2014
222014
Assessing the polycyclic aromatic hydrocarbon anisotropic potential with application to the exfoliation energy of graphite
TS Totton, AJ Misquitta, M Kraft
The Journal of Physical Chemistry A 115 (46), 13684-13693, 2011
202011
First-principles thermochemistry for the combustion of TiCl4 in a methane flame
TS Totton, R Shirley, M Kraft
Proceedings of the Combustion Institute 33 (1), 493-500, 2011
182011
Formation of methane hydrate in the presence of natural and synthetic nanoparticles
SJ Cox, DJF Taylor, TGA Youngs, AK Soper, TS Totton, RG Chapman, ...
Journal of the American Chemical Society 140 (9), 3277-3284, 2018
162018
A survey of the potential energy surface for the (benzene) 13 cluster
D Chakrabarti, TS Totton, M Kraft, DJ Wales
Physical Chemistry Chemical Physics 13 (48), 21362-21366, 2011
112011
Aggregation behavior of model asphaltenes revealed from large-scale coarse-grained molecular simulations
G Jiménez-Serratos, TS Totton, G Jackson, EA Müller
The Journal of Physical Chemistry B 123 (10), 2380-2396, 2019
62019
Computational methodology for solubility prediction: Application to sparingly soluble organic/inorganic materials
L Li, T Totton, D Frenkel
The Journal of chemical physics 149 (5), 054102, 2018
62018
Addressing hysteresis and slow equilibration issues in cavity-based calculation of chemical potentials
CR Wand, TS Totton, D Frenkel
The Journal of chemical physics 149 (1), 014105, 2018
32018
Coarse-grained models for crude oils: A direct link between equations of state and molecular simulations
EA Müller, C Herdes, TS Totton
OTC Brasil, 2015
32015
Multiscale Approach Linking Self-Aggregation and Surface Interactions of Synthesized Foulants to Fouling Mitigation Strategies
DM Kaimaki, BT Haire, HP Ryan, G Jiménez-Serratos, RM Alloway, ...
Energy & Fuels 33 (8), 7216-7224, 2019
12019
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Articles 1–20