Publications: Dr Edo Boek

Cui W, Huo K, Sugiyama S, Liang Y, Masuda Y, Morimoto M, Matsuoka T, Boek ES et al. ( 2022 ) . Microstructural evolution of bitumen during the glass transition: An application of digital oil . Fuel vol. 335 ,

Kalhor Mohammadi M, Riahi S, Boek ES ( 2022 ) . An insight review on formation damage induced by drilling fluids . Reviews in Chemical Engineering

Kalhor Mohammadi M, Riahi S, Boek ES ( 2021 ) . Developing novel bio-nano catalyst well clean up fluid to remove formation damage induced by polymeric water-based drilling fluids . Journal of Petroleum Science and Engineering vol. 210 , Article 109809 ,

Gostick JT, Misaghian N, Yang J, Boek ES ( 2021 ) . Simulating volume-controlled invasion of a non-wetting fluid in volumetric images using basic image processing tools . Computers and Geosciences vol. 158 , Article 104978 ,

Luo Z, Burrows SA, Fan X, Smoukov SK, Boek ES ( 2021 ) . Virtual voids method to generate low-density microporous carbon structures using quenched molecular dynamics simulation . Carbon vol. 183 , 438 - 448 .

Kramer OJI, van Schaik C, Dacomba-Torres PDR, de Moel PJ, Boek ES, Baars ET, Padding JT, van der Hoek JP ( 2021 ) . Fluidisation characteristics of granular activated carbon in drinking water treatment applications . Advanced Powder Technology vol. 32 , ( 9 ) 3174 - 3188 .

Nijssen TMJ, Kramer OJI, de Moel PJ, Rahman J, Kroon JP, Berhanu P, Boek ES, Buist KA et al. ( 2021 ) . Experimental and numerical insights into heterogeneous liquid-solid behaviour in drinking water softening reactors . Chemical Engineering Science: X vol. 11 ,

Gray F, Anabaraonye BU, Crawshaw JP, Boek ES ( 2021 ) . Pore-scale dissolution mechanisms in calcite-CO<inf>2</inf>-brine systems: The impact of non-linear reaction kinetics and coupled ion transport . Geochimica et Cosmochimica Acta vol. 305 , 323 - 338 .

Kramer OJI, van Schaik C, Hangelbroek JJ, de Moel PJ, Colin MG, Amsing M, Boek ES, Breugem WP et al. ( 2021 ) . A novel sensor measuring local voidage profile inside a fluidised bed reactor . Journal of Water Process Engineering

Kramer OJI, de Moel PJ, Padding JT, Baars ET, Rutten SB, Elarbab AHE, Hooft JFM, Boek ES et al. ( 2021 ) . New hydraulic insights into rapid sand filter bed backwashing using the Carman–Kozeny model . Water Research vol. 197 ,

Burrows SA, Korotkin I, Smoukov SK, Boek E, 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 .

Gostick JT, Yang J, Boek ES ( 2021 ) . Simulating volume-controlled invasion of a non-wetting fluid in volumetric images using basic image processing tools .

Zacharoudiou I, Boek ES, Crawshaw J ( 2020 ) . Pore-Scale Modeling of Drainage Displacement Patterns in Association With Geological Sequestration of CO2 . Water Resources Research vol. 56 , ( 11 )

Jiang F, Yang J, Boek E, Tsuji T ( 2020 ) . Investigation of viscous coupling effects in three-phase flow by lattice Boltzmann direct simulation and machine learning technique . Advances in Water Resources vol. 147 ,

Kramer OJI, de Moel PJ, Padding JT, Baars ET, Hasadi YMFE, Boek ES, van der Hoek JP ( 2020 ) . Accurate voidage prediction in fluidisation systems for full-scale drinking water pellet softening reactors using data driven models . Journal of Water Process Engineering vol. 37 ,

Kramer OJI, Padding JT, van Vugt WH, de Moel PJ, Baars ET, Boek ES, van der Hoek JP ( 2020 ) . Improvement of voidage prediction in liquid-solid fluidized beds by inclusion of the Froude number in effective drag relations . International Journal of Multiphase Flow vol. 127 ,

Iwase M, Liang Y, Masuda Y, Morimoto M, Matsuoka T, Boek ES, Kaito Y, Nakagawa K ( 2019 ) . Application of a Digital Oil Model to Solvent-Based Enhanced Oil Recovery of Heavy Crude Oil . Energy and Fuels Article acs.energyfuels.9b02 ,

Law JC, Headen TF, Jiménez-Serratos G, Boek ES, Murgich J, Müller EA ( 2019 ) . Catalogue of Plausible Molecular Models for the Molecular Dynamics of Asphaltenes and Resins Obtained from Quantitative Molecular Representation . Energy & Fuels vol. 33 , ( 10 ) 9779 - 9795 .

Yang L, Yang J, Boek E, Sakai M, Pain C ( 2019 ) . Image-based simulations of absolute permeability with massively parallel pseudo-compressible stabilised finite element solver . Computational Geosciences

Zacharoudiou I, Boek ES, Crawshaw J ( 2018 ) . The impact of drainage displacement patterns and Haines jumps on CO<inf>2</inf> storage efficiency . Scientific Reports vol. 8 , ( 1 )

Gray F, Anabaraonye B, Shah S, Boek E, 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 .

Sugiyama S, Liang Y, Murata S, Matsuoka T, Morimoto M, Ohata T, Nakano M, 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 .

Sugiyama S, Liang Y, Murata S, Matsuoka T, Morimoto M, Ohata T, Nakano M, 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 .

Iwase M, Sugiyama S, Liang Y, Masuda Y, Morimoto M, Matsuoka T, Boek ES, Ueda R et al. ( 2017 ) . Development of Digital Oil for Heavy Crude Oil: Molecular Model and Molecular Dynamics Simulations . Energy and Fuels vol. 32 , ( 3 ) 2781 - 2792 .

Li X, Guo Y, Boek ES, Guo X ( 2017 ) . Experimental Study on Kinetics of Asphaltene Aggregation in a Microcapillary . Energy and Fuels vol. 31 , ( 9 ) 9006 - 9015 .

Zacharoudiou I, Chapman EM, Boek ES, Crawshaw JP ( 2017 ) . Pore-filling events in single junction micro-models with corresponding lattice Boltzmann simulations . Journal of Fluid Mechanics vol. 824 , 550 - 573 .

Boek ES, Zacharoudiou I, Gray F, Shah SM, Crawshaw JP, Yang J ( 2017 ) . Multiphase-flow and reactive-transport validation studies at the pore scale by use of lattice Boltzmann computer simulations . SPE Journal . Conference: SPE ATCE vol. 22 , 940 - 949 .

Welch NJ, Gray F, Butcher AR, Boek ES, 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 . Transport in Porous Media vol. 118 , ( 3 ) 373 - 392 .

Shah SM, Crawshaw JP, Gray F, Yang J, Boek ES ( 2017 ) . Convex hull approach for determining rock representative elementary volume for multiple petrophysical parameters using pore-scale imaging and Lattice–Boltzmann modelling . Advances in Water Resources vol. 104 , 65 - 75 .

Headen TF, Boek ES, Jackson G, Totton TS, Müller EA ( 2017 ) . Simulation of Asphaltene Aggregation through Molecular Dynamics: Insights and Limitations . Energy and Fuels vol. 31 , ( 2 ) 1108 - 1125 .

Boek ES ( 2017 ) . Progress in Computer Simulations of Wormlike Micellar Fluids . RSC Soft Matter , vol. 2017-January ,

Sugiyama S, Liang Y, Murata S, Matsuoka T, Morimoto M, Ohata T, Nakano M, Boek ES ( 2016 ) . Construction of Digital Oil for Investigation of Crude Oil Properties at Different Thermodynamic Conditions . Conference: Day 3 Wed, November 16, 2016

Gray F, Cen J, 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 .

Shah SM, Crawshaw JP, Boek ES ( 2016 ) . Three-dimensional imaging of porous media using confocal laser scanning microscopy . Journal of Microscopy vol. 265 , ( 2 ) 261 - 271 .

Hu R, Crawshaw JP, Trusler JPM, Boek ES ( 2016 ) . Rheology and Phase Behavior of Carbon Dioxide and Crude Oil Mixtures . Energy and Fuels vol. 31 , ( 6 ) 5776 - 5784 .

Shah SM, Gray F, Crawshaw JP, 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 .

Gray F, Cen J, Shah SM, Crawshaw JP, Boek ES ( 2016 ) . Simulating dispersion in porous media and the influence of segmentation on stagnancy in carbonates . Advances in Water Resources vol. 97 , 1 - 10 .

Zhou J, Lu X, Boek ES ( 2016 ) . Changes in the interlayer structure and thermodynamics of hydrated montmorillonite under basin conditions: Molecular simulation approaches . Clays and Clay Minerals vol. 64 , ( 4 ) 503 - 511 .

Ross DA, Boek ES ( 2016 ) . Molecular Dynamics Simulations of Slip on Curved Surfaces . Oil & Gas Science and Technology – Revue d’IFP Energies nouvelles vol. 71 , ( 4 )

Zacharoudiou I, Boek ES ( 2016 ) . Capillary filling and Haines jump dynamics using free energy Lattice Boltzmann simulations . Advances in Water Resources vol. 92 , 43 - 56 .

Zhou J, Lu X, Boek ES ( 2016 ) . Confined water in tunnel nanopores of sepiolite: Insights from molecular simulations . American Mineralogist vol. 101 , ( 3 ) 713 - 718 .

Alvim RS, Lima FCDA, Sánchez VM, Headen TF, Boek ES, Miranda CR ( 2016 ) . Adsorption of asphaltenes on the calcite (10.4) surface by first-principles calculations . RSC Advances vol. 6 , ( 97 ) 95328 - 95336 .

Gray F, Boek E ( 2016 ) . Enhancing computational precision for lattice Boltzmann schemes in porous media flows . Computation vol. 4 , ( 1 )

Hu R, Crawshaw JP, Trusler JPM, Boek ES ( 2015 ) . Rheology of diluted heavy crude oil saturated with carbon dioxide . Energy and Fuels vol. 29 , ( 5 ) 2785 - 2789 .

Zhou J, Boek ES, Zhu J, Lu X, Sprik M, He H ( 2015 ) . Molecular simulation study of hydrated Na-rectorite . Langmuir vol. 31 , ( 6 ) 2008 - 2013 .

Shah SM, Crawshaw JP, Boek ES ( 2014 ) . Preparation of microporous rock samples for confocal laser scanning microscopy . Petroleum Geoscience vol. 20 , ( 4 ) 369 - 374 .

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 .

Hibi R, Tagami K, Kobayashi K, Liang Y, Honda H, Murata S, Matsuoka T, Morimoto M et al. ( 2014 ) . Investigation of asphaltene-asphaltene association and aggregation for compositional reservoir simulators by quantitative molecular representations . Society of Petroleum Engineers - International Petroleum Technology Conference 2014, IPTC 2014 - Innovation and Collaboration: Keys to Affordable Energy . vol. 4 , 3275 - 3292 .

Boek ES, Zacharoudiou L, Gray F, Shah SM, Crawshaw JP, Yang J ( 2014 ) . Multiphase flow and reactive transport at the pore scale using lattice- Boltzmann computer simulations . Proceedings - SPE Annual Technical Conference and Exhibition . vol. 6 , 4746 - 4757 .

Crawshaw JP, 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 ,

Seifried CM, Al Lawati S, Crawshaw JP, Boek ES ( 2013 ) . Asphaltene deposition in capillary flow . Proceedings - SPE Annual Technical Conference and Exhibition . vol. 3 , 2505 - 2514 .

Shah SM, Yang J, Crawshaw JP, Gharbi O, Boek ES ( 2013 ) . Predicting porosity and permeability of carbonate rocks from pore- to core-scale using medical CT, confocal laser scanning microscopy and micro CT . Proceedings - SPE Annual Technical Conference and Exhibition . vol. 3 , 2103 - 2115 .

Yang J, Crawshaw J, 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 .

Li X, Ross DA, Trusler JPM, Maitland GC, Boek ES ( 2013 ) . Molecular dynamics simulations of CO<inf>2</inf> and brine interfacial tension at high temperatures and pressures . Journal of Physical Chemistry B vol. 117 , ( 18 ) 5647 - 5652 .

Seifried CM, Crawshaw J, Boek ES ( 2013 ) . Kinetics of asphaltene aggregation in crude oil studied by confocal laser-scanning microscopy . Energy and Fuels . vol. 27 , 1865 - 1872 .

Mikami Y, Liang Y, Matsuoka T, Boek ES ( 2013 ) . Molecular dynamics simulations of asphaltenes at the oil-water interface: From nanoaggregation to thin-film formation . Energy and Fuels . vol. 27 , 1838 - 1845 .

Yang J, Boek ES ( 2013 ) . A comparison study of multi-component Lattice Boltzmann models for flow in porous media applications . Computers and Mathematics with Applications . vol. 65 , 882 - 890 .

Gharbi O, Bijeljic B, Boek E, Blunt MJ ( 2013 ) . Changes in pore structure and connectivity induced by CO<inf>2</inf> injection in carbonates: A combined pore-scale approach . Energy Procedia . vol. 37 , 5367 - 5378 .

Crawshaw JP, Boek ES ( 2013 ) . Multi-scale imaging and simulation of structure, flow and reactive transport for CO<inf>2</inf> storage and EOR in carbonate reservoirs . Reviews in Mineralogy and Geochemistry vol. 77 , ( 1 ) 431 - 458 .

Chapman EM, Yang J, Crawshaw JP, Boek ES ( 2013 ) . Pore scale models for imbibition of CO<inf>2</inf> analogue fluids in etched micro-fluidic junctions from micro-model experiments and direct LBM flow calculations . Energy Procedia . vol. 37 , 3680 - 3686 .

Al Halwachi HK, Yakovlev DS, 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 .

Stukan MR, Ligneul P, 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 .

Suter JL, Sprik M, 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 .

Boek ES ( 2012 ) . 12th international conference on petroleum phase behavior and fouling . Energy and Fuels vol. 26 , ( 5 )

Li X, Boek ES, Maitland GC, Trusler JPM ( 2012 ) . Interfacial tension of (brines + CO <inf>2</inf>): CaCl <inf>2</inf>(aq), MgCl <inf>2</inf>(aq), and Na <inf>2</inf>SO <inf>4</inf>(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 .

Lawal KA, Crawshaw JP, Boek ES, Vesovic V ( 2012 ) . Experimental investigation of asphaltene deposition in capillary flow . Energy and Fuels vol. 26 , ( 4 ) 2145 - 2153 .

Li X, Boek E, Maitland GC, Trusler JPM ( 2012 ) . Interfacial tension of (Brines + CO<inf>2</inf>): (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 .

Sengupta A, Hammond PS, Frenkel D, 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 .

Boek ES, Hall C, 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 .

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

Boek ES, Stukan MR, Ligneul P ( 2011 ) . Molecular dynamics simulation of surfactant flooding in asphaltenic oils for EOR applications . 16th European Symposium on Improved Oil Recovery 2011 . 668 - 676 .

Xu X, Crawshaw JP, Boek E ( 2011 ) . Precipitation of asphaltene from crude oil using filtration experiments . 16th European Symposium on Improved Oil Recovery 2011 . 300 - 308 .

Headen TF, Boek ES ( 2011 ) . Molecular dynamics simulations of asphaltene aggregation in supercritical carbon dioxide with and without limonene . Energy and Fuels . vol. 25 , 503 - 508 .

Headen TF, Boek ES ( 2011 ) . Potential of mean force calculation from molecular dynamics simulation of asphaltene molecules on a calcite surface . Energy and Fuels . vol. 25 , 499 - 502 .

Boek E, Fadili A, Williams MJ, Padding J ( 2011 ) . Prediction of asphaltene deposition in porous media by systematic upscaling from a colloidal pore scale model to a deep bed filtration model . Proceedings - SPE Annual Technical Conference and Exhibition . vol. 6 , 4716 - 4726 .

Stukan MR, Ligneul P, Crawshaw JP, Boek ES ( 2010 ) . Spontaneous imbibition in nanopores of different roughness and wettability . Langmuir vol. 26 , ( 16 ) 13342 - 13352 .

Boek ES, Wilson AD, Padding JT, Headen TF, Crawshaw JP ( 2010 ) . Multi-scale simulation and experimental studies of asphaltene aggregation and deposition in capillary flow . Energy and Fuels . vol. 24 , 2361 - 2368 .

Boek ES, 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 .

Boek E ( 2010 ) . Pore scale simulation of flow in porous media using Lattice-Boltzmann computer simulations . Proceedings - SPE Annual Technical Conference and Exhibition . vol. 6 , 5119 - 5131 .

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

Boek ES, Headen TF, Padding JT ( 2009 ) . Multi-scale simulation of asphaltene aggregation and deposition in capillary flow . Faraday Discussions vol. 144 , 271 - 284 .

Wilson AD, Boek ES, Ladva HK, Crawshaw J, Padding JT ( 2009 ) . Recent Developments in the Deposition of Colloidal Asphaltene in Capillary Flow: Experiments and Mesoscopic Simulation . Conference: All Days

Headen TF, Boek ES, Skipper NT ( 2009 ) . Evidence for asphaltene nanoaggregation in toluene and heptane from molecular dynamics simulations . Energy and Fuels . vol. 23 , 1220 - 1229 .

Boek ES, Yakovlev DS, Headen TF ( 2009 ) . Quantitative molecular representation of asphaltenes and molecular dynamics simulation of their aggregation . Energy and Fuels . vol. 23 , 1209 - 1219 .

Headen TF, Boek ES, Stellbrink J, Scheven UM ( 2009 ) . Small angle neutron scattering (SANS and V-SANS) study of asphaltene aggregates in crude oil . Langmuir vol. 25 , ( 1 ) 422 - 428 .

Suter JL, Boek ES, 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 .

Boek ES, Ladva HK, Crawshaw JP, Padding JT ( 2008 ) . Colloidal asphaltene deposition and aggregation in capillary flow: Experiments and mesoscopic simulation . AIP Conference Proceedings . vol. 1027 , 273 - 275 .

Padding JT, Boek ES, Briels WJ ( 2008 ) . Dynamics and rheology of wormlike micelles emerging from particulate computer simulations . Journal of Chemical Physics vol. 129 , ( 7 )

Boek ES, Ladva HK, Crawshaw JP, Padding JT ( 2008 ) . Deposition of colloidal asphaltene in capillary flow: Experiments and mesoscopic simulation . Energy and Fuels vol. 22 , ( 2 ) 805 - 813 .

Stukan MR, Boek ES, Padding JT, Briels WJ, Crawshaw JP ( 2008 ) . Flow of wormlike micelles in an expansion-contraction geometry . Soft Matter vol. 4 , ( 4 ) 870 - 879 .

Stukan MR, Boek ES, Padding JT, 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 .

Boek ES, Padding JT, Anderson VJ, Briels WJ, 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 .

Yakovlev DS, Boek ES ( 2007 ) . Molecular dynamics simulations of mixed cationic/anionic wormlike micelles . Langmuir vol. 23 , ( 12 ) 6588 - 6597 .

Tambach TJ, Boek ES, Smit B ( 2006 ) . Molecular order and disorder of surfactants in clay nanocomposites . Physical Chemistry Chemical Physics vol. 8 , ( 23 ) 2700 - 2702 .

Venturoli M, 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 .

Boek ES, Padding JT ( 2006 ) . CECAM workshop on "Structure and rheology of self-assembling and aggregating colloidal suspensions: Theory, simulation and experiment" . Applied Rheology . vol. 16 , 35 - 36 .

Padding JT, Boek ES, Briels WJ ( 2005 ) . Rheology of wormlike micellar fluids from Brownian and molecular dynamics simulations . Journal of Physics Condensed Matter vol. 17 , ( 45 )

Boek ES, Padding JT, Den Otter WK, 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 .

Boek ES, Padding JT, Anderson VJ, Tardy PMJ, Crawshaw JP, 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 .

Boek ES, Den Otter WK, Briels WJ, 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 .

Grosfils P, Boon JP, Chin J, 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 .

Padding JT, Boek ES ( 2004 ) . Evidence for diffusion-controlled recombination kinetics in model wormlike micelles . Europhysics Letters vol. 66 , ( 5 ) 756 - 762 .

Padding JT, 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 )

Boek ES, 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 .

BOEK ES, CHIN J, COVENEY PV ( 2003 ) . LATTICE BOLTZMANN SIMULATION OF THE FLOW OF NON-NEWTONIAN FLUIDS IN POROUS MEDIA . International Journal of Modern Physics B . vol. 17 , 99 - 102 .

Boek ES, Chin J, Coveney PV ( 2003 ) . Lattice Boltzmann simulation of the flow of non-Newtonian fluids in porous media . International Journal of Modern Physics B . vol. 17 , 99 - 102 .

Yakovlev D, 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 Bioinformatics) vol. 2658 , 668 - 677 .

Boek ES, Jusufi A, Löwen H, 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 .

Sprik M, Boek ES ( 2002 ) . Ab initio molecular dynamics study of a model swelling smectite clay . ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY . vol. 223 , U616 - U616 .

Chin J, Boek ES, 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 .

Coveney PV, Griffin JLW, WATKINSON M, Whiting A, 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 .

Van Der Kooij FM, Boek ES, Philipse AP ( 2001 ) . Rheology of dilute suspensions of hard platelike colloids . Journal of Colloid and Interface Science vol. 235 , ( 2 ) 344 - 349 .

Bains AS, Boek ES, Coveney PV, Williams SJ, Akbar MV ( 2001 ) . Molecular modelling of the mechanism of action of organic clay-swelling inhibitors . Molecular Simulation vol. 26 , ( 2 ) 101 - 145 .

Coveney PV, De Silva H, Gomtsyan A, Whiting A, 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 .

Bailey L, Boek ES, Jacques SDM, Boassen T, Selle OM, Argillier JF, Longeron DG ( 2000 ) . Particulate invasion from drilling fluids . SPE Journal vol. 5 , ( 4 ) 412 - 419 .

Kutter S, Hansen JP, Sprik M, 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 .

Grimbergen RFP, Boek ES, Meekes H, Bennema P ( 1999 ) . Explanation for the supersaturation dependence of the morphology of lysozyme crystals . Journal of Crystal Growth vol. 207 , ( 1 ) 112 - 121 .

Bailey L, Boek E, Jacques S, Boassen T, Selle O, Argillier JF, Longeron D ( 1999 ) . Particulate invasion from drilling fluids . SPE - European Formation Damage Control Conference, Proceedings471 - 480 .

De Siqueira AVC, Skipper NT, Coveney PV, Boek ES ( 1998 ) . Computer simulation evidence for enthalpy driven dehydration of smectite clays at elevated pressures and temperatures . Molecular Physics vol. 95 , ( 1 )

Boek ES, Van Der Schoot P ( 1998 ) . Resolution effects in Dissipative particle dynamics simulations . International Journal of Modern Physics C vol. 9 , ( 8 ) 1307 - 1318 .

DE SIQUEIRA AVC, 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 .

Boek ES, Coveney PV, Lekkerkerker HNW, vanderSchoot P ( 1997 ) . Simulating the rheology of dense colloidal suspensions using dissipative particle dynamics . PHYSICAL REVIEW E vol. 55 , ( 3 ) 3124 - 3133 .

Boek ES, Coveney PV, Lekkerkerker HNW, 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 .

Boek ES, Coveney PV, 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 .

Boek ES, Coveney PV, Williams SJ, Bains AS ( 1996 ) . A robust water potential parameterisation . Molecular Simulation vol. 18 , ( 3 ) 145 - 154 .

Liu XY, Boek ES, Briels WJ, Bennema P ( 1995 ) . Prediction of crystal growth morphology based on structural analysis of the solid–fluid interface . Nature vol. 374 , ( 6520 ) 342 - 345 .

Liu XY, Boek ES, Briels WJ, Bennema P ( 1995 ) . Analysis of morphology of crystals based on identification of interfacial structure . The Journal of Chemical Physics vol. 103 , ( 9 ) 3747 - 3754 .

Boek ES, Coveney PV, 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 .

Boek ES, Coveney PV, 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 .

Boek ES, Briels WJ, 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 .

Boek ES, 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<inf>N</inf>(r) . The Journal of Chemical Physics vol. 98 , ( 2 ) 1422 - 1427 .

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

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

Krämer M, Blank B, Boek E, Ditzel E, Kankeleit E, Klotz-Engmann G, Müntz C, Oeschler H et al. ( 1989 ) . Electron spectroscopy, a tool to study the dynamics of heavy-ion collisions . Physical Review C vol. 40 , ( 4 ) 1662 - 1676 .

Krieg R, Boek E, Gollerthan U, Kankeleit E, Klotz-Engmann G, Krämer M, Meyer U, Oeschler H et al. ( 1986 ) . Reaction dynamics studied via positron and electron spectroscopy . Physical Review C vol. 34 , ( 2 ) 562 - 575 .

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