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T F Headen
T F Headen
ISIS Neutron and Muon Source, STFC
Verified email at stfc.ac.uk
Title
Cited by
Cited by
Year
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
2452009
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
2342009
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
2302010
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
1972020
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
1902017
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
952009
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
932011
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
792018
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
732010
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
672020
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
492011
Multi-scale simulation of asphaltene aggregation and deposition in capillary flow
ES Boek, TF Headen, JT Padding
Faraday discussions 144, 271-284, 2010
402010
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
392018
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
342016
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
332019
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
332015
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
302019
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
282019
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
282018
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
282017
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