Dr 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 2964Queen Mary University of London
e.boek@qmul.ac.uk
www.sems.qmul.ac.uk/e.boek
Publications
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.