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Dr Edo Boek

Edo BoekPhD

Reader in Chemical Engineering

School of Engineering and Materials Science
Room E402, Engineering, Mile End
+44 (0)20 7882 2964

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

Research

soft matter and complex fluids, transport and flow in porous media (including batteries and fuel cells), (renewable) energy engineering, CO2 sequestration and Enhanced Oil Recovery, multi-scale imaging: micro-fluidics, rheology, X-ray micro-tomography, FIB-SEM

Research Interests

Dr Edo Boek holds a first degree in Earth Sciences (cum laude) from the University of Utrecht (NL) and a PhD in Chemical Engineering / Applied Physics from the University of Twente (NL). After a postdoctoral research fellowship at the the University of Nijmegen (NL), he accepted a position as senior research scientist at Schlumberger Cambridge Research (SCR), Cambridge (UK). At SCR, he has been researching complex fluids and flow in porous media, by developing a variety of multi-scale simulation methods, such as MD, MC, DPD, BD, SRD and LB. The central theme of his research is to develop fundamental understanding and prediction of macroscopic properties from the underlying micro- and meso-scopic properties. Applications include clay swelling, drilling fluids, hydraulic fracturing, formation damage, flow assurance, CO2 storage, asphaltene deposition and Enhanced Oil Recovery. After 15 years at Schlumberger, Dr Boek accepted a position as Senior Lecturer at the Dept. of Chemical Engineering at Imperial College London, UK. In particular, he has been responsible as Principal Investigator for the Multi-scale Imaging Facility at the Qatar Carbonates and Carbon Storage Research Centre (QCCSRC), founded at Imperial College through long term industrial research funding. After 2 years at MathWorks, Dr Boek accepted a position as Reader in Chemical Engineering at Queen Mary University of London in the School of Engineering and Materials Science. In this capacity, he is responsible for setting up a new department of Chemical Engineering with focus on renewable energy engineering, including battery design and fuel cells. He also holds an Honorary Research Fellowship at DAMTP, University of Cambridge. His research covers numerical, experimental and theoretical investigations of soft matter in external fields and flow in porous media, with emphasis on chemical and physical processes at the pore scale. This includes development of multi-scale simulation and imaging methods (micro-CT scanning, micro-fluidics, confocal microscopy, rheology) of multi-phase flow and reactive transport in porous media. Dr Boek has > 100 peer-reviewed publications and > 3 granted patents on the subjects of complex fluids and flow in porous media.

 

Publications of specific relevance to Materials Research

Publications

2021

  • 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
  • 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. 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. Journal of Physical Chemistry B  vol. 125, (19) 5145-5159. 10.1021/acs.jpcb.0c07587
  • 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  10.1016/j.apt.2021.06.017

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

  • 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
  • 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
  • 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
  • Iwase M, Sugiyama S, Liang Y, Masuda Y, Morimoto M, Matsuoka T, Boek ES, Ueda R and Nakagawa K (2018). 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
  • 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 Journal  vol. 23, (03) 952-968. 10.2118/189465-pa

2017

  • 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
  • Hu R, Crawshaw JP, Trusler JPM and Boek ES (2017). 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
  • 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). Progress in Computer Simulations of Wormlike Micellar Fluids. Rsc Soft Matter  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
  • 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. 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. American Mineralogist  vol. 101, (3) 713-718. 10.2138/am-2016-5430
  • 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. Rsc Advances  vol. 6, (97) 95328-95336. 10.1039/c6ra19307b
  • Gray F and Boek E (2016). Enhancing computational precision for lattice Boltzmann schemes in porous media flows. Computation  vol. 4, (1) 10.3390/computation4010011

2015

  • Hu R, Crawshaw JP, Trusler JPM and Boek ES (2015). Rheology of diluted heavy crude oil saturated with carbon dioxide. Energy and Fuels  vol. 29, (5) 2785-2789. 10.1021/ef5020378
  • Zhou J, Boek ES, Zhu J, Lu X, Sprik M and He H (2015). Molecular simulation study of hydrated Na-rectorite. Langmuir  vol. 31, (6) 2008-2013. 10.1021/la503900h

2014

  • Boek ES (2014). Molecular dynamics simulations of interlayer structure and mobility in hydrated Li-, Na- and K-montmorillonite clays. Molecular Physics  vol. 112, (9-10) 1472-1483. 10.1080/00268976.2014.907630
  • Shah SM, Crawshaw JP and Boek ES (2014). Preparation of microporous rock samples for confocal laser scanning microscopy. Petroleum Geoscience  vol. 20, (4) 369-374. 10.1144/petgeo2014-021

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  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. 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. 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. Reviews in Mineralogy and Geochemistry  vol. 77, (1) 431-458. 10.2138/rmg.2013.77.12

2012

  • Al Halwachi HK, Yakovlev DS and Boek ES (2012). Systematic optimization of asphaltene molecular structure and molecular weight using the quantitative molecular representation approach. Energy and Fuels  vol. 26, (10) 6177-6185. 10.1021/ef300604q
  • 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. Oil and Gas Science and Technology  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. Geochimica Et Cosmochimica Acta  vol. 91, 109-119. 10.1016/j.gca.2012.04.060
  • Boek ES (2012). 12th international conference on petroleum phase behavior and fouling. Energy and Fuels  vol. 26, (5) 10.1021/ef300488m
  • Li X, Boek ES, Maitland GC and Trusler JPM (2012). Interfacial tension of (brines + CO 2): CaCl 2(aq), MgCl 2(aq), and Na 2SO 4(aq) at temperatures between (343 and 423) K, pressures between (2 and 50) MPa, and molalities of (0.5 to 5) mol•kg -1. Journal of Chemical and Engineering Data  vol. 57, (5) 1369-1375. 10.1021/je300304p
  • Lawal KA, Crawshaw JP, Boek ES and Vesovic V (2012). Experimental investigation of asphaltene deposition in capillary flow. Energy and Fuels  vol. 26, (4) 2145-2153. 10.1021/ef201874m
  • 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. Journal of Chemical and Engineering Data  vol. 57, (4) 1078-1088. 10.1021/je201062r
  • 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. Journal of Computational Physics  vol. 231, (6) 2634-2640. 10.1016/j.jcp.2011.12.004
  • Boek ES, Hall C and Tardy PMJ (2012). Deep Bed Filtration Modelling of Formation Damage Due to Particulate Invasion from Drilling Fluids. Transport in Porous Media  vol. 91, (2) 479-508. 10.1007/s11242-011-9856-0

2011

  • Lawal KA, Vesovic V and Boek ES (2011). Modeling permeability impairment in porous media due to asphaltene deposition under dynamic conditions. Energy and Fuels  vol. 25, (12) 5647-5659. 10.1021/ef200764t

2010

  • Stukan MR, Ligneul P, Crawshaw JP and Boek ES (2010). Spontaneous imbibition in nanopores of different roughness and wettability. 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. Computers and Mathematics With Applications  vol. 59, (7) 2305-2314. 10.1016/j.camwa.2009.08.063

2009

  • Padding JT, Briels WJ, Stukan MR and Boek ES (2009). Review of multi-scale particulate simulation of the rheology of wormlike micellar fluids. Soft Matter  vol. 5, (22) 4367-4375. 10.1039/b911329k
  • Boek ES, Headen TF and Padding JT (2009). Multi-scale simulation of asphaltene aggregation and deposition in capillary flow. Faraday Discussions  vol. 144, 271-284. 10.1039/b902305b
  • Headen TF, Boek ES, Stellbrink J and Scheven UM (2009). Small angle neutron scattering (SANS and V-SANS) study of asphaltene aggregates in crude oil. Langmuir  vol. 25, (1) 422-428. 10.1021/la802118m

2008

  • Suter JL, Boek ES and Sprik M (2008). Adsorption of a sodium ion on a smectite clay from constrained ab initio molecular dynamics simulations. 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. Journal of Chemical Physics  vol. 129, (7) 10.1063/1.2970934
  • Boek ES, Ladva HK, Crawshaw JP and Padding JT (2008). Deposition of colloidal asphaltene in capillary flow: Experiments and mesoscopic simulation. Energy and Fuels  vol. 22, (2) 805-813. 10.1021/ef700670f
  • 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. European Physical Journal E  vol. 26, (1-2) 63-71. 10.1140/epje/i2007-10316-y
  • Stukan MR, Boek ES, Padding JT, Briels WJ and Crawshaw JP (2008). Flow of wormlike micelles in an expansion-contraction geometry. 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. 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. Langmuir  vol. 23, (12) 6588-6597. 10.1021/la063268y

2006

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

2005

  • Padding JT, Boek ES and Briels WJ (2005). Rheology of wormlike micellar fluids from Brownian and molecular dynamics simulations. Journal of Physics Condensed Matter  vol. 17, (45) 10.1088/0953-8984/17/45/021
  • Boek ES, Padding JT, Den Otter WK and Briels WJ (2005). Mechanical properties of surfactant bilayer membranes from atomistic and coarse-grained molecular dynamics simulations. 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. Journal of Non-Newtonian Fluid Mechanics  vol. 126, (1) 39-46. 10.1016/j.jnnfm.2005.01.001

2004

  • Grosfils P, Boon JP, Chin J and Boek ES (2004). Structural and dynamical characterization of Hele-Shaw viscous fingering. Philosophical Transactions of The Royal Society a: Mathematical, Physical and Engineering Sciences  vol. 362, (1821) 1723-1734. 10.1098/rsta.2004.1398
  • Boek ES, Den Otter WK, Briels WJ and Iakovlev D (2004). Molecular-dynamics simulation of amphiphilic bilayer membranes and wormlike micelles: A multi-scale modelling approach to the design of viscoelastic surfactant solutions. Philosophical Transactions of The Royal Society a: Mathematical, Physical and Engineering Sciences  vol. 362, (1821) 1625-1638. 10.1098/rsta.2004.1399
  • Padding JT and Boek ES (2004). Evidence for diffusion-controlled recombination kinetics in model wormlike micelles. Europhysics Letters  vol. 66, (5) 756-762. 10.1209/epl/i2003-10246-4
  • Padding JT and Boek ES (2004). Influence of shear flow on the formation of rings in wormlike micelles: A nonequilibrium molecular dynamics study. Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics  vol. 70, (3) 10.1103/PhysRevE.70.031502

2003

  • Boek ES and Sprik M (2003). Ab Initio molecular dynamics study of the hydration of a sodium smectite clay. 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. Lecture Notes in Computer Science (Including Subseries Lecture Notes in Artificial Intelligence and Lecture Notes in Bioinformat  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. Journal of Physics Condensed Matter  vol. 14, (40 SPEC.) 9413-9430. 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. 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. 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. Molecular Simulation  vol. 26, (2) 101-145. 10.1080/08927020108023012

2000

  • 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. Molecular Simulation  vol. 25, (5) 265-299. 10.1080/08927020008024503
  • Bailey L, Boek ES, Jacques SDM, Boassen T, Selle OM, Argillier JF and Longeron DG (2000). Particulate invasion from drilling fluids. Spe Journal  vol. 5, (4) 412-419. 10.2118/67853-PA
  • Kutter S, Hansen JP, Sprik M and Boek E (2000). Structure and phase behavior of a model clay dispersion: A molecular-dynamics investigation. 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. Journal of Crystal Growth  vol. 207, (1) 112-121. 10.1016/S0022-0248(99)00352-8

1998

  • 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. Molecular Physics  vol. 95, (1) 10.1080/00268979809483139
  • Boek ES and Van Der Schoot P (1998). Resolution effects in Dissipative particle dynamics simulations. International Journal of Modern Physics C  vol. 9, (8) 1307-1318. 10.1142/S0129183198001187

1997

  • DE SIQUEIRA AVC and BOEK NTSPVCAES (1997). Computer simulation evidence for enthalpy driven dehydration of smectite clays at elevated pressures and temperatures. Molecular Physics  vol. 92, (1) 1-6. 10.1080/002689797170545
  • 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
  • Boek ES, Coveney PV, Lekkerkerker HNW and van der Schoot P (1997). Simulating the rheology of dense colloidal suspensions using dissipative particle dynamics. Physical Review E - Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics  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. Journal of Physics Condensed Matter  vol. 8, (47) 9509-9512. 10.1088/0953-8984/8/47/053
  • Boek ES, Coveney PV, Williams SJ and Bains AS (1996). A robust water potential parameterisation. Molecular Simulation  vol. 18, (3) 145-154. 10.1080/08927029608024120

1995

  • Liu XY, Boek ES, Briels WJ and Bennema P (1995). Prediction of crystal growth morphology based on structural analysis of the solid–fluid interface. Nature  vol. 374, (6520) 342-345. 10.1038/374342a0
  • Liu XY, Boek ES, Briels WJ and Bennema P (1995). Analysis of morphology of crystals based on identification of interfacial structure. The Journal of Chemical Physics  vol. 103, (9) 3747-3754. 10.1063/1.470053
  • 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. 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. Journal of The American Chemical Society  vol. 117, (50) 12608-12617. 10.1021/ja00155a025

1994

  • Boek ES, Briels WJ and Feil D (1994). Interfaces between a saturated aqueous urea solution and crystalline urea: A molecular dynamics study. Journal of Physial 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 GN(r). 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. 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. 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). Electron spectroscopy, a tool to study the dynamics of heavy-ion collisions. 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. 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, Boek E, Styczen J, Keinonen J, Dudek J and Nazarewicz W (1985). Strong Angular Momentum Effects in Near-Barrier Fusion Reactions. Physical Review Letters  vol. 54, (5) 398-401. 10.1103/PhysRevLett.54.398

1975

  • Boek E, Hrynkiewicz AZ, Merdinger JC and Vivien JP (1975). Hyperfine interactions of light nuclei recoil-implanted into iron. 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 of specific relevance to Materials Research

Grants

  • Grant # 201806290210
    Boek E
    China Scholarship Council (CSC) (03-12-2018 - 02-12-2022)