T F Headen
T F Headen
ISIS Neutron and Muon Source, STFC
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Cited by
Cited by
Evidence for asphaltene nanoaggregation in toluene and heptane from molecular dynamics simulations
TF Headen, ES Boek, NT Skipper
Energy & Fuels 23 (3), 1220-1229, 2009
Quantitative molecular representation of asphaltenes and molecular dynamics simulation of their aggregation
ES Boek, DS Yakovlev, TF Headen
Energy & Fuels 23 (3), 1209-1219, 2009
Structure of π− π Interactions in Aromatic Liquids
TF Headen, CA Howard, NT Skipper, MA Wilkinson, DT Bowron, ...
Journal of the American Chemical Society 132 (16), 5735-5742, 2010
A revised mechanistic model for sodium insertion in hard carbons
H Au, H Alptekin, ACS Jensen, E Olsson, CA O’Keefe, T Smith, ...
Energy & environmental science 13 (10), 3469-3479, 2020
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
Small angle neutron scattering (SANS and V-SANS) study of asphaltene aggregates in crude oil
TF Headen, ES Boek, J Stellbrink, UM Scheven
Langmuir 25 (1), 422-428, 2009
Molecular dynamics simulations of asphaltene aggregation in supercritical carbon dioxide with and without limonene
TF Headen, ES Boek
Energy & fuels 25 (2), 503-508, 2011
Liquid phase blending of metal-organic frameworks
L Longley, SM Collins, C Zhou, GJ Smales, SE Norman, NJ Brownbill, ...
Nature communications 9 (1), 2135, 2018
Multi-scale simulation and experimental studies of asphaltene aggregation and deposition in capillary flow
ES Boek, AD Wilson, JT Padding, TF Headen, JP Crawshaw
Energy & Fuels 24 (4), 2361-2368, 2010
Sodium storage mechanism investigations through structural changes in hard carbons
H Alptekin, H Au, ACS Jensen, E Olsson, M Goktas, TF Headen, ...
ACS applied energy materials 3 (10), 9918-9927, 2020
Potential of mean force calculation from molecular dynamics simulation of asphaltene molecules on a calcite surface
TF Headen, ES Boek
Energy & fuels 25 (2), 499-502, 2011
Multi-scale simulation of asphaltene aggregation and deposition in capillary flow
ES Boek, TF Headen, JT Padding
Faraday discussions 144, 271-284, 2010
Local Structure and Polar Order in Liquid N-Methyl-2-pyrrolidone (NMP)
NS Basma, TF Headen, MSP Shaffer, NT Skipper, CA Howard
The Journal of Physical Chemistry B 122 (38), 8963-8971, 2018
Adsorption of asphaltenes on the calcite (10.4) surface by first-principles calculations
RS Alvim, FCDA Lima, VM Sánchez, TF Headen, ES Boek, CR Miranda
RSC advances 6 (97), 95328-95336, 2016
Catalogue of plausible molecular models for the molecular dynamics of asphaltenes and resins obtained from quantitative molecular representation
JC Law, TF Headen, G Jiménez-Serratos, ES Boek, J Murgich, ...
Energy & Fuels 33 (10), 9779-9795, 2019
Ammonia borane–polyethylene oxide composite materials for solid hydrogen storage
AS Nathanson, AR Ploszajski, M Billing, JP Cook, DWK Jenkins, ...
Journal of Materials Chemistry A 3 (7), 3683-3691, 2015
Predicting asphaltene aggregate structure from molecular dynamics simulation: comparison to neutron total scattering data
TF Headen, MP Hoepfner
Energy & Fuels 33 (5), 3787-3795, 2019
The liquid structure of the solvents dimethylformamide (DMF) and dimethylacetamide (DMA)
N Basma, PL Cullen, AJ Clancy, MSP Shaffer, NT Skipper, TF Headen, ...
Molecular Physics 117 (22), 3353-3363, 2019
The structures of liquid pyridine and naphthalene: the effects of heteroatoms and core size on aromatic interactions
TF Headen, PL Cullen, R Patel, A Taylor, NT Skipper
Physical Chemistry Chemical Physics 20 (4), 2704-2715, 2018
Micrometer-sized water ice particles for planetary science experiments: influence of surface structure on collisional properties
S Gärtner, B Gundlach, TF Headen, J Ratte, J Oesert, SN Gorb, ...
The Astrophysical Journal 848 (2), 96, 2017
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