Dr Edo Boek

Edo Boek

Reader in Chemical Engineering
Computational and Molecular Modelling Lead

School of Engineering and Materials Science
Queen Mary University of London
+44 (0)20 7882 2964

www.sems.qmul.ac.uk/e.boek
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Publications

Publications of specific relevance to

2025

Wu J, Meeten GH, Jones TGJ, Cagney N and Boek ES (2025). Membrane fouling during the harvesting of microalgae using static microfiltration. Elsevier  Separation and Purification Technology  vol. 353, 10.1016/j.seppur.2024.127737

2024

Collins IR, Floriano DC, Paevskiy I, Wee J, Boek ES and Mohammadi MK (2024). Transition from oil & gas drilling fluids to geothermal drilling fluids. Elsevier  Geoenergy Science and Engineering  vol. 233, 10.1016/j.geoen.2023.212543

2023

Erfani H, Haghani R, McClure J, Boek E and Berg CF (2023). Spatial Characterization of Wetting in Porous Media Using Local Lattice-Boltzmann Simulations. Springer Nature  Transport in Porous Media  vol. 151, (3) 429-448. 10.1007/s11242-023-02044-x
Huang Y, Liang Y, Masuda Y, Cui W, Tsuji T, Matsuoka T, Boek ES and Takabayashi K (2023). Evaluation of Asphaltene Hildebrand and Hansen Solubility Parameters Using Digital Oil Models with Molecular Dynamics Simulation. American Chemical Society (Acs)  Energy & Fuels  vol. 37, (19) 14699-14713. 10.1021/acs.energyfuels.3c02507

2022

Cui W, Huo K, Sugiyama S, Liang Y, Masuda Y, Morimoto M, Matsuoka T, Boek ES, Kaito Y, Nakagawa K and Ito D (2022). Microstructural evolution of bitumen during the glass transition: An application of digital oil. Elsevier  Fuel  vol. 335, 10.1016/j.fuel.2022.127048
Luo Z, Burrows SA, Smoukov SK, Fan X and Boek ES (2022). Extension of the TraPPE Force Field for Battery Electrolyte Solvents. American Chemical Society  Journal of Physical Chemistry B (Soft Condensed Matter and Biophysical Chemistry)  10.1021/acs.jpcb.2c06993
Kalhor Mohammadi M, Riahi S and Boek ES (2022). An insight review on formation damage induced by drilling fluids. De Gruyter  Reviews in Chemical Engineering  10.1515/revce-2020-0106

2021

Kalhor Mohammadi M, Riahi S and Boek ES (2021). Developing novel bio-nano catalyst well clean up fluid to remove formation damage induced by polymeric water-based drilling fluids. Elsevier  Journal of Petroleum Science and Engineering  vol. 210, 10.1016/j.petrol.2021.109809
Gostick JT, Misaghian N, Yang J and Boek ES (2021). Simulating volume-controlled invasion of a non-wetting fluid in volumetric images using basic image processing tools. Elsevier  Computers and Geosciences  vol. 158, 10.1016/j.cageo.2021.104978
Luo Z, Burrows SA, Fan X, Smoukov SK and Boek ES (2021). Virtual voids method to generate low-density microporous carbon structures using quenched molecular dynamics simulation. Carbon  vol. 183, 438-448. 10.1016/j.carbon.2021.07.005
Kramer OJI, van Schaik C, Dacomba-Torres PDR, de Moel PJ, Boek ES, Baars ET, Padding JT and van der Hoek JP (2021). Fluidisation characteristics of granular activated carbon in drinking water treatment applications. Advanced Powder Technology  vol. 32, (9) 3174-3188. 10.1016/j.apt.2021.06.017
Nijssen TMJ, Kramer OJI, de Moel PJ, Rahman J, Kroon JP, Berhanu P, Boek ES, Buist KA, van der Hoek JP, Padding JT and Kuipers JAM (2021). Experimental and numerical insights into heterogeneous liquid-solid behaviour in drinking water softening reactors. Chemical Engineering Science: X  vol. 11, 10.1016/j.cesx.2021.100100
Gray F, Anabaraonye BU, Crawshaw JP and Boek ES (2021). Pore-scale dissolution mechanisms in calcite-CO2-brine systems: The impact of non-linear reaction kinetics and coupled ion transport. Geochimica Et Cosmochimica Acta  vol. 305, 323-338. 10.1016/j.gca.2021.04.002
Kramer OJI, van Schaik C, Hangelbroek JJ, de Moel PJ, Colin MG, Amsing M, Boek ES, Breugem WP, Padding JT and van der Hoek JP (2021). A novel sensor measuring local voidage profile inside a fluidised bed reactor. Journal of Water Process Engineering  10.1016/j.jwpe.2021.102091
Kramer OJI, de Moel PJ, Padding JT, Baars ET, Rutten SB, Elarbab AHE, Hooft JFM, Boek ES and van der Hoek JP (2021). New hydraulic insights into rapid sand filter bed backwashing using the Carman–Kozeny model. Elsevier  Water Research  vol. 197, 10.1016/j.watres.2021.117085
Burrows SA, Korotkin I, Smoukov SK, Boek E and Karabasov S (2021). Benchmarking of Molecular Dynamics Force Fields for Solid–Liquid and Solid–Solid Phase Transitions in Alkanes. American Chemical Society (Acs)  The Journal of Physical Chemistry B  vol. 125, (19) 5145-5159. 10.1021/acs.jpcb.0c07587

2020

Zacharoudiou I, Boek ES and Crawshaw J (2020). Pore-Scale Modeling of Drainage Displacement Patterns in Association With Geological Sequestration of CO2. Water Resources Research  vol. 56, (11) 10.1029/2019WR026332
Jiang F, Yang J, Boek E and Tsuji T (2020). Investigation of viscous coupling effects in three-phase flow by lattice Boltzmann direct simulation and machine learning technique. Elsevier  Advances in Water Resources  vol. 147, 10.1016/j.advwatres.2020.103797
Kramer OJI, de Moel PJ, Padding JT, Baars ET, Hasadi YMFE, Boek ES and van der Hoek JP (2020). Accurate voidage prediction in fluidisation systems for full-scale drinking water pellet softening reactors using data driven models. Elsevier  Journal of Water Process Engineering  vol. 37, 10.1016/j.jwpe.2020.101481
Kramer OJI, Padding JT, van Vugt WH, de Moel PJ, Baars ET, Boek ES and van der Hoek JP (2020). Improvement of voidage prediction in liquid-solid fluidized beds by inclusion of the Froude number in effective drag relations. Elsevier  International Journal of Multiphase Flow  vol. 127, 10.1016/j.ijmultiphaseflow.2020.103261

2019

Iwase M, Liang Y, Masuda Y, Morimoto M, Matsuoka T, Boek ES, Kaito Y and Nakagawa K (2019). Application of a Digital Oil Model to Solvent-Based Enhanced Oil Recovery of Heavy Crude Oil. American Chemical Society  Energy and Fuels  10.1021/acs.energyfuels.9b02801
Law JC, Headen TF, Jiménez-Serratos G, Boek ES, Murgich J and Müller EA (2019). Catalogue of Plausible Molecular Models for the Molecular Dynamics of Asphaltenes and Resins Obtained from Quantitative Molecular Representation. American Chemical Society (Acs)  Energy & Fuels  vol. 33, (10) 9779-9795. 10.1021/acs.energyfuels.9b02605
Yang L, Yang J, Boek E, Sakai M and Pain C (2019). Image-based simulations of absolute permeability with massively parallel pseudo-compressible stabilised finite element solver. Springer Science and Business Media Llc  Computational Geosciences  10.1007/s10596-019-09837-4

2018

Zacharoudiou I, Boek ES and Crawshaw J (2018). The impact of drainage displacement patterns and Haines jumps on CO2 storage efficiency. Scientific Reports  vol. 8, (1) 10.1038/s41598-018-33502-y
Gray F, Anabaraonye B, Shah S, Boek E and Crawshaw J (2018). Chemical mechanisms of dissolution of calcite by HCl in porous media: Simulations and experiment. Advances in Water Resources  vol. 121, 369-387. 10.1016/j.advwatres.2018.09.007
Sugiyama S, Liang Y, Murata S, Matsuoka T, Morimoto M, Ohata T, Nakano M and Boek ES (2018). Construction, validation, and application of digital oil: Investigation of asphaltene association toward asphaltene-precipitation prediction. Spe Journal  vol. 23, (3) 952-968. 10.2118/189465-pa
Sugiyama S, Liang Y, Murata S, Matsuoka T, Morimoto M, Ohata T, Nakano M and Boek ES (2018). Construction, Validation, and Application of Digital Oil: Investigation of Asphaltene Association Toward Asphaltene-Precipitation Prediction. Society of Petroleum Engineers (Spe)  Society of Petroleum Engineers Journal  vol. 23, (03) 952-968. 10.2118/189465-pa

2017

Iwase M, Sugiyama S, Liang Y, Masuda Y, Morimoto M, Matsuoka T, Boek ES, Ueda R and Nakagawa K (2017). Development of Digital Oil for Heavy Crude Oil: Molecular Model and Molecular Dynamics Simulations. Energy and Fuels  vol. 32, (3) 2781-2792. 10.1021/acs.energyfuels.7b02881
Li X, Guo Y, Boek ES and Guo X (2017). Experimental Study on Kinetics of Asphaltene Aggregation in a Microcapillary. Energy and Fuels  vol. 31, (9) 9006-9015. 10.1021/acs.energyfuels.7b01170
Zacharoudiou I, Chapman EM, Boek ES and Crawshaw JP (2017). Pore-filling events in single junction micro-models with corresponding lattice Boltzmann simulations. Journal of Fluid Mechanics  vol. 824, 550-573. 10.1017/jfm.2017.363
Welch NJ, Gray F, Butcher AR, Boek ES and Crawshaw JP (2017). High-Resolution 3D FIB-SEM Image Analysis and Validation of Numerical Simulations of Nanometre-Scale Porous Ceramic with Comparisons to Experimental Results. Springer Verlag  Transport in Porous Media  vol. 118, (3) 373-392. 10.1007/s11242-017-0860-x
Shah SM, Crawshaw JP, Gray F, Yang J and Boek ES (2017). Convex hull approach for determining rock representative elementary volume for multiple petrophysical parameters using pore-scale imaging and Lattice–Boltzmann modelling. Elsevier  Advances in Water Resources  vol. 104, 65-75. 10.1016/j.advwatres.2017.03.008
Headen TF, Boek ES, Jackson G, Totton TS and Müller EA (2017). Simulation of Asphaltene Aggregation through Molecular Dynamics: Insights and Limitations. American Chemical Society  Energy and Fuels  vol. 31, (2) 1108-1125. 10.1021/acs.energyfuels.6b02161
Boek ES (2017). Chapter 10 Progress in Computer Simulations of Wormlike Micellar Fluids. Wormlike Micelles  Royal Society of Chemistry (Rsc)  10.1039/9781782629788-00279

2016

Shah SM, Crawshaw JP and Boek ES (2016). Three-dimensional imaging of porous media using confocal laser scanning microscopy. Wiley  Journal of Microscopy  vol. 265, (2) 261-271. 10.1111/jmi.12496
Gray F, Cen J and Boek ES (2016). Simulation of dissolution in porous media in three dimensions with lattice Boltzmann, finite-volume, and surface-rescaling methods. Phys Rev E  vol. 94, (4-1) 043320-043320. 10.1103/PhysRevE.94.043320
Hu R, Crawshaw JP, Trusler JPM and Boek ES (2016). Rheology and Phase Behavior of Carbon Dioxide and Crude Oil Mixtures. American Chemical Society  Energy and Fuels  vol. 31, (6) 5776-5784. 10.1021/acs.energyfuels.6b01858
Shah SM, Gray F, Crawshaw JP and Boek ES (2016). Micro-computed tomography pore-scale study of flow in porous media: Effect of voxel resolution. Advances in Water Resources  vol. 95, 276-287. 10.1016/j.advwatres.2015.07.012
Gray F, Cen J, Shah SM, Crawshaw JP and Boek ES (2016). Simulating dispersion in porous media and the influence of segmentation on stagnancy in carbonates. Elsevier  Advances in Water Resources  vol. 97, 1-10. 10.1016/j.advwatres.2016.08.009
Zhou J, Lu X and Boek ES (2016). Changes in the interlayer structure and thermodynamics of hydrated montmorillonite under basin conditions: Molecular simulation approaches. Clay Minerals Society  Clays and Clay Minerals  vol. 64, (4) 503-511. 10.1346/CCMN.2016.0640412
Ross DA and Boek ES (2016). Molecular Dynamics Simulations of Slip on Curved Surfaces. Edp Sciences  Oil & Gas Science and Technology – Revue D’Ifp Energies Nouvelles  vol. 71, (4) 10.2516/ogst/2016004
Zacharoudiou I and Boek ES (2016). Capillary filling and Haines jump dynamics using free energy Lattice Boltzmann simulations. Advances in Water Resources  vol. 92, 43-56. 10.1016/j.advwatres.2016.03.013
Zhou J, Lu X and Boek ES (2016). Confined water in tunnel nanopores of sepiolite: Insights from molecular simulations. Mineralogical Society of America  American Mineralogist  vol. 101, (3) 713-718. 10.2138/am-2016-5430
Gray F and Boek E (2016). Enhancing Computational Precision for Lattice Boltzmann Schemes in Porous Media Flows. Mdpi  Computation  vol. 4, (1) 10.3390/computation4010011
Alvim RS, Lima FCDA, Sánchez VM, Headen TF, Boek ES and Miranda CR (2016). Adsorption of asphaltenes on the calcite (10.4) surface by first-principles calculations. Royal Society of Chemistry (Rsc)  Rsc Advances  vol. 6, (97) 95328-95336. 10.1039/c6ra19307b

2015

Zhou J, Boek ES, Zhu J, Lu X, Sprik M and He H (2015). Molecular Simulation Study of Hydrated Na-Rectorite. American Chemical Society (Acs)  Langmuir  vol. 31, (6) 2008-2013. 10.1021/la503900h

2014

Hu R, Crawshaw JP, Trusler JPM and Boek ES (2014). Rheology of Diluted Heavy Crude Oil Saturated with Carbon Dioxide. American Chemical Society (Acs)  Energy & Fuels  vol. 29, (5) 2785-2789. 10.1021/ef5020378
Shah SM, Crawshaw JP and Boek ES (2014). Preparation of microporous rock samples for confocal laser scanning microscopy. Geological Society of London  Petroleum Geoscience  vol. 20, (4) 369-374. 10.1144/petgeo2014-021
Boek ES (2014). Molecular dynamics simulations of interlayer structure and mobility in hydrated Li-, Na- and K-montmorillonite clays. Taylor & Francis  Molecular Physics  vol. 112, (9-10) 1472-1483. 10.1080/00268976.2014.907630

2013

Crawshaw JP and Boek ES (2013). 12. Multi-scale Imaging and Simulation of Structure, Flow and Reactive Transport for C02 Storage and EOR in Carbonate Reservoirs. Geochemistry of Geologic Co2 Sequestration  De Gruyter  10.1515/9781501508073-014
Yang J, Crawshaw J and Boek ES (2013). Quantitative determination of molecular propagator distributions for solute transport in homogeneous and heterogeneous porous media using lattice Boltzmann simulations. American Geophysical Union (Agu)  Water Resources Research  vol. 49, (12) 8531-8538. 10.1002/2013wr013877
Li X, Ross DA, Trusler JPM, Maitland GC and Boek ES (2013). Molecular Dynamics Simulations of CO2 and Brine Interfacial Tension at High Temperatures and Pressures. American Chemical Society (Acs)  The Journal of Physical Chemistry B  vol. 117, (18) 5647-5652. 10.1021/jp309730m
Crawshaw JP and Boek ES (2013). Multi-scale Imaging and Simulation of Structure, Flow and Reactive Transport for CO2 Storage and EOR in Carbonate Reservoirs. Mineralogical Society of America  Reviews in Mineralogy and Geochemistry  vol. 77, (1) 431-458. 10.2138/rmg.2013.77.12

2012

Stukan MR, Ligneul P and Boek ES (2012). Molecular Dynamics Simulation of Spontaneous Imbibition in Nanopores and Recovery of Asphaltenic Crude Oils Using Surfactants for EOR Applications. Edp Sciences  Oil & Gas Science and Technology – Revue D’Ifp Energies Nouvelles  vol. 67, (5) 737-742. 10.2516/ogst/2012039
Suter JL, Sprik M and Boek ES (2012). Free energies of absorption of alkali ions onto beidellite and montmorillonite surfaces from constrained molecular dynamics simulations. Elsevier  Geochimica Et Cosmochimica Acta  vol. 91, 109-119. 10.1016/j.gca.2012.04.060
Halwachi HKA, Yakovlev DS and Boek ES (2012). Systematic Optimization of Asphaltene Molecular Structure and Molecular Weight Using the Quantitative Molecular Representation Approach. American Chemical Society (Acs)  Energy & Fuels  vol. 26, (10) 6177-6185. 10.1021/ef300604q
Lawal KA, Crawshaw JP, Boek ES and Vesovic V (2012). Experimental Investigation of Asphaltene Deposition in Capillary Flow. American Chemical Society (Acs)  Energy & Fuels  vol. 26, (4) 2145-2153. 10.1021/ef201874m
Li X, Boek ES, Maitland GC and Trusler JPM (2012). Interfacial Tension of (Brines + CO2): CaCl2(aq), MgCl2(aq), and Na2SO4(aq) at Temperatures between (343 and 423) K, Pressures between (2 and 50) MPa, and Molalities of (0.5 to 5) mol·kg–1. American Chemical Society (Acs)  Journal of Chemical & Engineering Data  vol. 57, (5) 1369-1375. 10.1021/je300304p
Boek ES (2012). 12th International Conference on Petroleum Phase Behavior and Fouling. American Chemical Society (Acs)  Energy & Fuels  vol. 26, (5) 2547-2547. 10.1021/ef300488m
Sengupta A, Hammond PS, Frenkel D and Boek ES (2012). Error analysis and correction for Lattice Boltzmann simulated flow conductance in capillaries of different shapes and alignments. Elsevier  Journal of Computational Physics  vol. 231, (6) 2634-2640. 10.1016/j.jcp.2011.12.004
Li X, Boek E, Maitland GC and Trusler JPM (2012). Interfacial Tension of (Brines + CO2): (0.864 NaCl + 0.136 KCl) at Temperatures between (298 and 448) K, Pressures between (2 and 50) MPa, and Total Molalities of (1 to 5) mol·kg–1. American Chemical Society (Acs)  Journal of Chemical & Engineering Data  vol. 57, (4) 1078-1088. 10.1021/je201062r

2011

Lawal KA, Vesovic V and Boek ES (2011). Modeling Permeability Impairment in Porous Media due to Asphaltene Deposition under Dynamic Conditions. American Chemical Society (Acs)  Energy & Fuels  vol. 25, (12) 5647-5659. 10.1021/ef200764t
Boek ES, Hall C and Tardy PMJ (2011). Deep Bed Filtration Modelling of Formation Damage Due to Particulate Invasion from Drilling Fluids. Springer Nature  Transport in Porous Media  vol. 91, (2) 479-508. 10.1007/s11242-011-9856-0

2010

Stukan MR, Ligneul P, Crawshaw JP and Boek ES (2010). Spontaneous Imbibition in Nanopores of Different Roughness and Wettability. American Chemical Society (Acs)  Langmuir  vol. 26, (16) 13342-13352. 10.1021/la101995t
Boek ES and Venturoli M (2010). Lattice-Boltzmann studies of fluid flow in porous media with realistic rock geometries. Elsevier  Computers & Mathematics With Applications  vol. 59, (7) 2305-2314. 10.1016/j.camwa.2009.08.063
Boek ES, Headen TF and Padding JT (2010). Multi-scale simulation of asphaltene aggregation and deposition in capillary flow. Royal Society of Chemistry (Rsc)  Faraday Discussions  vol. 144, 271-284. 10.1039/b902305b

2009

Padding JT, Briels WJ, Stukan MR and Boek ES (2009). Review of multi-scale particulate simulation of the rheology of wormlike micellar fluids. Royal Society of Chemistry (Rsc)  Soft Matter  vol. 5, (22) 4367-4375. 10.1039/b911329k

2008

Headen TF, Boek ES, Stellbrink J and Scheven UM (2008). Small Angle Neutron Scattering (SANS and V-SANS) Study of Asphaltene Aggregates in Crude Oil. American Chemical Society (Acs)  Langmuir  vol. 25, (1) 422-428. 10.1021/la802118m
Suter JL, Boek ES and Sprik M (2008). Adsorption of a Sodium Ion on a Smectite Clay from Constrained Ab Initio Molecular Dynamics Simulations. American Chemical Society (Acs)  The Journal of Physical Chemistry C  vol. 112, (48) 18832-18839. 10.1021/jp075946a
Padding JT, Boek ES and Briels WJ (2008). Dynamics and rheology of wormlike micelles emerging from particulate computer simulations. Aip Publishing  The Journal of Chemical Physics  vol. 129, (7) 10.1063/1.2970934
Stukan MR, Boek ES, Padding JT and Crawshaw JP (2008). Influence of system size and solvent flow on the distribution of wormlike micelles in a contraction-expansion geometry. Springer Nature  The European Physical Journal E  vol. 26, (1-2) 10.1140/epje/i2007-10316-y
Boek ES, Ladva HK, Crawshaw JP and Padding JT (2008). Deposition of Colloidal Asphaltene in Capillary Flow: Experiments and Mesoscopic Simulation. American Chemical Society (Acs)  Energy & Fuels  vol. 22, (2) 805-813. 10.1021/ef700670f
Stukan MR, Boek ES, Padding JT, Briels WJ and Crawshaw JP (2008). Flow of wormlike micelles in an expansion-contraction geometry. Royal Society of Chemistry (Rsc)  Soft Matter  vol. 4, (4) 870-879. 10.1039/b713498c

2007

Boek ES, Padding JT, Anderson VJ, Briels WJ and Crawshaw JP (2007). Flow of entangled wormlike micellar fluids: Mesoscopic simulations, rheology and μ-PIV experiments. Elsevier  Journal of Non-Newtonian Fluid Mechanics  vol. 146, (1-3) 11-21. 10.1016/j.jnnfm.2006.11.002
Yakovlev DS and Boek ES (2007). Molecular Dynamics Simulations of Mixed Cationic/Anionic Wormlike Micelles. American Chemical Society (Acs)  Langmuir  vol. 23, (12) 6588-6597. 10.1021/la063268y

2006

Venturoli M and Boek ES (2006). Two-dimensional lattice-Boltzmann simulations of single phase flow in a pseudo two-dimensional micromodel. Elsevier  Physica a Statistical Mechanics and Its Applications  vol. 362, (1) 23-29. 10.1016/j.physa.2005.09.006
Tambach TJ, Boek ES and Smit B (2006). Molecular order and disorder of surfactants in clay nanocomposites. Royal Society of Chemistry (Rsc)  Physical Chemistry Chemical Physics  vol. 8, (23) 2700-2702. 10.1039/b601373b

2005

Padding JT, Boek ES and Briels WJ (2005). Rheology of wormlike micellar fluids from Brownian and molecular dynamics simulations. Iop Publishing  Journal of Physics Condensed Matter  vol. 17, (45) 10.1088/0953-8984/17/45/021
Boek ES, Padding JT, Otter WKD and Briels WJ (2005). Mechanical Properties of Surfactant Bilayer Membranes from Atomistic and Coarse-Grained Molecular Dynamics Simulations. American Chemical Society (Acs)  The Journal of Physical Chemistry B  vol. 109, (42) 19851-19858. 10.1021/jp054372b
Boek ES, Padding JT, Anderson VJ, Tardy PMJ, Crawshaw JP and Pearson JRA (2005). Constitutive equations for extensional flow of wormlike micelles: stability analysis of the Bautista–Manero model. Elsevier  Journal of Non-Newtonian Fluid Mechanics  vol. 126, (1) 39-46. 10.1016/j.jnnfm.2005.01.001

2004

Padding JT and Boek ES (2004). Influence of shear flow on the formation of rings in wormlike micelles: A nonequilibrium molecular dynamics study. American Physical Society (Aps)  Physical Review E  vol. 70, (3) 10.1103/physreve.70.031502
Boek ES, Otter WKD, Briels WJ and Iakovlev D (2004). Moleculardynamics simulation of amphiphilic bilayer membranes and wormlike micelles: a multiscale modelling approach to the design of viscoelastic surfactant solutions. The Royal Society  Philosophical Transactions of The Royal Society a Mathematical Physical and Engineering Sciences  vol. 362, (1821) 1625-1638. 10.1098/rsta.2004.1399
Grosfils P, Boon JP, Chin J and Boek ES (2004). Structural and dynamical characterization of HeleShaw viscous fingering. The Royal Society  Philosophical Transactions of The Royal Society a Mathematical Physical and Engineering Sciences  vol. 362, (1821) 1723-1734. 10.1098/rsta.2004.1398
Padding JT and Boek ES (2004). Evidence for diffusion-controlled recombination kinetics in model wormlike micelles. Iop Publishing  Epl (Europhysics Letters)  vol. 66, (5) 756-762. 10.1209/epl/i2003-10246-4

2003

Boek ES and Sprik M (2003). Ab Initio Molecular Dynamics Study of the Hydration of a Sodium Smectite Clay. American Chemical Society (Acs)  The Journal of Physical Chemistry B  vol. 107, (14) 3251-3256. 10.1021/jp0262564
Yakovlev D and Boek ES (2003). Structure of Bilayer Membranes of Gemini Surfactants with Rigid and Flexible Spacers from MD Simulations. Springer Nature  Lecture Notes in Computer Science  vol. 2658, 668-677. 10.1007/3-540-44862-4_72

2002

Boek ES, Jusufi A, Löwen H and Maitland GC (2002). Molecular design of responsive fluids: molecular dynamics studies of viscoelastic surfactant solutions. Iop Publishing  Journal of Physics Condensed Matter  vol. 14, (40) 10.1088/0953-8984/14/40/326
Chin J, Boek ES and Coveney PV (2002). Lattice Boltzmann simulation of the flow of binary immiscible fluids with different viscosities using the Shan-Chen microscopic interaction model. The Royal Society  Philosophical Transactions of The Royal Society a Mathematical Physical and Engineering Sciences  vol. 360, (1792) 547-558. 10.1098/rsta.2001.0953
Coveney PV, Griffin JLW, WATKINSON M, Whiting A and Boek ES (2002). Novel non-exfoliated clay-nanocomposite materials by in situ co-polymerisation of intercalated monomers: A combinatorial discovery approach. Mol. Sim.  vol. 28, (3) 295-316. 10.1080/08927020290014394

2001

van der Kooij FM, Boek ES and Philipse AP (2001). Rheology of Dilute Suspensions of Hard Platelike Colloids. Elsevier  Journal of Colloid and Interface Science  vol. 235, (2) 344-349. 10.1006/jcis.2000.7336
Bains AS, Boek ES, Coveney PV, Williams SJ and Akbar MV (2001). Molecular Modelling of The Mechanism of Action of Organic Clay-Swelling Inhibitors. Taylor & Francis  Molecular Simulation  vol. 26, (2) 101-145. 10.1080/08927020108023012

2000

Bailey L, Boek ES, Jacques SDM, Boassen T, Selle OM, Argillier J-F and Longeron DG (2000). Particulate Invasion From Drilling Fluids. Society of Petroleum Engineers (Spe)  Society of Petroleum Engineers Journal  vol. 5, (04) 412-419. 10.2118/67853-pa
Coveney PV, de Silva H, Gomtsyan A, Whiting A and Boek ES (2000). Novel Approaches to Cross-linking High Molecular Weight Polysaccharides: Application to Guar-based Hydraulic Fracturing Fluids. Taylor & Francis  Molecular Simulation  vol. 25, (5) 265-299. 10.1080/08927020008024503
Kutter S, Hansen J-P, Sprik M and Boek E (2000). Structure and phase behavior of a model clay dispersion: A molecular-dynamics investigation. Aip Publishing  The Journal of Chemical Physics  vol. 112, (1) 311-322. 10.1063/1.480582

1999

Grimbergen RFP, Boek ES, Meekes H and Bennema P (1999). Explanation for the supersaturation dependence of the morphology of lysozyme crystals. Elsevier  Journal of Crystal Growth  vol. 207, (1-2) 112-121. 10.1016/s0022-0248(99)00352-8
Bailey L, Boek E, Jacques S, Boassen T, Selle O, Argillier JF and Longeron D (1999). Particulate invasion from drilling fluids. Spe - European Formation Damage Control Conference, Proceedings  471-480.

1998

Boek ES and Van Der Schoot P (1998). Resolution Effects in Dissipative Particle Dynamics Simulations. World Scientific Publishing  International Journal of Modern Physics C  vol. 9, (08) 1307-1318. 10.1142/s0129183198001187
De Siqueira AVC, Skipper NT, Coveney PV and Boek ES (1998). Computer simulation evidence for enthalpy driven dehydration of smectite clays at elevated pressures and temperatures. Taylor & Francis  Molecular Physics  vol. 95, (1) 123-123. 10.1080/00268979809483139

1997

DE SIQUEIRA AVC and BOEK NTSPVCAES (1997). Computer simulation evidence for enthalpy driven dehydration of smectite clays at elevated pressures and temperatures. Taylor & Francis  Molecular Physics  vol. 92, (1) 1-6. 10.1080/002689797170545
Boek ES, Coveney PV, Lekkerkerker HNW and van der Schoot P (1997). Simulating the rheology of dense colloidal suspensions using dissipative particle dynamics. American Physical Society (Aps)  Physical Review E  vol. 55, (3) 3124-3133. 10.1103/physreve.55.3124
Boek ES, Coveney PV, Lekkerkerker HNW and vanderSchoot P (1997). Simulating the rheology of dense colloidal suspensions using dissipative particle dynamics. Physical Review E  vol. 55, (3) 3124-3133. 10.1103/PhysRevE.55.3124

1996

Boek ES, Coveney PV and Lekkerkerker HNW (1996). Computer simulation of rheological phenomena in dense colloidal suspensions with dissipative particle dynamics. Iop Publishing  Journal of Physics Condensed Matter  vol. 8, (47) 10.1088/0953-8984/8/47/053
Boek ES, Coveney PV, Williams SJ and Bains AS (1996). A Robust Water Potential Parameterisation. Taylor & Francis  Molecular Simulation  vol. 18, (3) 145-154. 10.1080/08927029608024120

1995

Boek ES, Coveney PV and Skipper NT (1995). Molecular Modeling of Clay Hydration: A Study of Hysteresis Loops in the Swelling Curves of Sodium Montmorillonites. American Chemical Society (Acs)  Langmuir  vol. 11, (12) 4629-4631. 10.1021/la00012a008
Boek ES, Coveney PV and Skipper NT (1995). Monte Carlo Molecular Modeling Studies of Hydrated Li-, Na-, and K-Smectites: Understanding the Role of Potassium as a Clay Swelling Inhibitor. American Chemical Society (Acs)  Journal of The American Chemical Society  vol. 117, (50) 12608-12617. 10.1021/ja00155a025
Liu XY, Boek ES, Briels WJ and Bennema P (1995). Analysis of morphology of crystals based on identification of interfacial structure. Aip Publishing  The Journal of Chemical Physics  vol. 103, (9) 3747-3754. 10.1063/1.470053
Liu XY, Boek ES, Briels WJ and Bennema P (1995). Prediction of crystal growth morphology based on structural analysis of the solid–fluid interface. Springer Nature  Nature  vol. 374, (6520) 342-345. 10.1038/374342a0

1994

Boek ES, Briels WJ and Feil D (1994). Interfaces between a Saturated Aqueous Urea Solution and Crystalline Urea: A Molecular Dynamics Study. American Chemical Society (Acs)  The Journal of Physical Chemistry  vol. 98, (6) 1674-1681. 10.1021/j100057a022

1993

Boek ES and Briels WJ (1993). Molecular dynamics simulations of aqueous urea solutions: Study of dimer stability and solution structure, and calculation of the total nitrogen radial distribution function G N( r ). Aip Publishing  The Journal of Chemical Physics  vol. 98, (2) 1422-1427. 10.1063/1.464306

1992

Boek ES, Briels WJ, van Eerden J and Feil D (1992). Molecular-dynamics simulations of interfaces between water and crystalline urea. Aip Publishing  The Journal of Chemical Physics  vol. 96, (9) 7010-7018. 10.1063/1.462560

1991

Boek ES, Feil D, Briels WJ and Bennema P (1991). From wave function to crystal morphology: application to urea and alpha-glycine. Elsevier  Journal of Crystal Growth  vol. 114, (3) 389-410. 10.1016/0022-0248(91)90057-c

1989

Krämer M, Blank B, Boek E, Ditzel E, Kankeleit E, Klotz-Engmann G, Müntz C, Oeschler H, Rhein M and Senger P (1989). δ-electron spectroscopy, a tool to study the dynamics of heavy-ion collisions. American Physical Society (Aps)  Physical Review C  vol. 40, (4) 1662-1676. 10.1103/physrevc.40.1662

1986

Krieg R, Boek E, Gollerthan U, Kankeleit E, Klotz-Engmann G, Krämer M, Meyer U, Oeschler H and Senger P (1986). Reaction dynamics studied via positron and electron spectroscopy. American Physical Society (Aps)  Physical Review C  vol. 34, (2) 562-575. 10.1103/physrevc.34.562

1985

Haas B, Duchêne G, Beck FA, Byrski T, Gehringer C, Merdinger JC, Nourredine A, Rauch V, Vivien JP, Barrette J, Tobbeche S, Bożek E, Styczen J, Keinonen J, Dudek J and Nazarewicz W (1985). Strong Angular Momentum Effects in Near-Barrier Fusion Reactions. American Physical Society (Aps)  Physical Review Letters  vol. 54, (5) 398-401. 10.1103/physrevlett.54.398

1975

Bożek E, Hrynkiewicz AZ, Merdinger JC and Vivien JP (1975). Hyperfine interactions of light nuclei recoil-implanted into iron. American Physical Society (Aps)  Physical Review C  vol. 12, (6) 1873-1877. 10.1103/physrevc.12.1873

1967

Liu XY, Boek ES, Briels WJ and Bennema P (1967). Analysis of morphology of crystals based on identification of interfacial structure. Physics of Fluids  vol. 10, (11) 3747-3754.

Grants

Grants of specific relevance to
Utilisation of Synthetic Fuels for Difficult-to-Decarbonise Propulsion
Jiang X, Boek E and Karimi N
£436,929 Engineering and Physical Sciences Research Council (31-07-2023 - 30-07-2026)
Summary
Grant # 201806290210
Boek E
China Scholarship Council (CSC) (03-12-2018 - 02-12-2022)