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2024

MacPherson, Zoe and Gomes, José R. B. and Jorge, Miguel and Lue, Leo (2024) The dipole moment of supercritical water - local vs. mean-field polarisation contributions. Molecular Physics. pp. 1-13. e2381574. ISSN 0026-8976

Brightman, Edward and Robertson, Stuart and Lyth, Stephen and Sims, Ryan and Tuohy, Paul and Lue, Leo and Bae, Dowon and Berlouis, Leonard (2024) Flow battery activities at the University of Strathclyde. In: International Flow Battery Forum, 2024-06-24 - 2024-06-26, Hilton Hotel.

Lue, Leo and Pruteanu, Ciprian G. and Ackland, Graeme J. (2024) The re-entrant transition from the molecular to atomic phases of dense fluids : the case of hydrogen. Journal of Chemical Physics, 160 (19). 194502. ISSN 0021-9606

Paterson, Thomas and Bannerman, Marcus N. and Lue, Leo (2024) Using the Zeno line to assess and refine molecular models. Journal of Chemical Physics, 160 (15). 154503. ISSN 0021-9606

2023

Moreno Flores, Irene and Lue, Leo and Cardona, Javier (2023) Understanding nucleation and oiling out through phase-field modelling. In: CMAC Open Days 2023, 2023-11-14 - 2023-11-16, Technology & Innovation Centre, 99 George Street.

Mularski, Jakub and Lue, Leo and Li, Jun (2023) Development of a numerical method for the rapid prediction of ignition performance of biomass particles. Fuel, 348. 128520. ISSN 0016-2361

Moreno, Irene and Lue, Leo and Cardona, Javier (2023) Understanding nucleation and oiling out through phase-field modelling. In: ISIC 2023, 2023-09-05 - 2023-09-08, University of Strathclyde.

Moreno, Irene and McKechnie, David and Lue, Leo and Cardona, Javier (2023) Modelling diffusive mixing and phase transformations in an antisolvent crystallization system. In: 50th International Conference on Computer Coupling of Phase Diagrams and Thermochemistry, 2023-06-25 - 2023-09-30, Massachusetts Institute of Technology.

Pruteanu, Ciprian G. and Bannerman, Marcus N. and Kirsz, Marcin and Lue, Leo, Graeme J. Ackland (2023) From atoms to colloids : does the Frenkel line exist in discontinuous potentials? ACS Omega, 8 (13). 12144–12153. ISSN 2470-1343

2022

Moreno Flores, Irene and McKechnie, David and Lue, Leo and Cardona, Javier (2022) Unravelling anomalous mass transport in antisolvent crystallisation. In: Research Celebration Day 2022 - Chemical and Process Engineering, 2022-12-02 - 2022-12-02, University of Strathclyde.

Shahid, Muhid and Sanxaridou, Georgia and Ottoboni, Sara and Lue, Leo and Price, Chris (2022) Exploring the role of anti-solvent effects during washing on active pharmaceutical product purity. In: 13th World Filtration Congress, 2022-10-05 - 2022-10-09.

Moreno, Irene and McKechnie, David and Lue, Leo and Cardona, Javier (2022) Understanding the effect of diffusive mixing in antisolvent crystallisation. In: IXth Diffusion Fundamentals Conference, 2022-09-21 - 2022-09-24, Jagiellonian University.

McKechnie, D. and Moreno, I. and Tachtatzis, C. and Nordon, A. and Lue, L. and Cardona, J. (2022) Unravelling anomalous mass transport in miscible liquids. In: IXth Diffusion Fundamentals Conference, 2022-09-21 - 2022-09-24, Jagiellonian University.

MacKinnon, James and Bannerman, Marcus N. and Lue, Leo (2022) Tethered hard spheres : a bridge between the fluid and solid phases. Journal of Chemical Physics, 157 (11). 114501. ISSN 0021-9606

Miller, Russell and Sefcik, Jan and Lue, Leo (2022) Diffusive mixing in antisolvent crystallisation. In: CMAC Annual Open Day 2022, 2022-05-16 - 2022-05-18.

Moreno, Irene and McKechnie, David and Lue, Leo and Cardona, Javier (2022) Unravelling anomalous mass transport in antisolvent crystallisation. In: CMAC Annual Open Day 2022, 2022-05-16 - 2022-05-18.

Svoboda, Vaclav and Venkatramanan, Raghunath and Jaap, Mairi and Lue, Leo and ter Horst, Joop H. and Sefcik, Jan (2022) Co-crystal phase diagram determination by the solution addition method. Crystal Growth and Design, 22 (5). pp. 3376-3384. ISSN 1528-7483

Miller, Russell and Sefcik, Jan and Lue, Leo (2022) Modelling diffusive mixing in antisolvent crystallization. Crystal Growth and Design, 22 (4). pp. 2192-2207. ISSN 1528-7483

Manson, Andrew and Sefcik, Jan and Lue, Leo (2022) Temperature dependence of solubility predicted from thermodynamic data measured at a single temperature : application to α, β and γ-glycine. Crystal Growth and Design, 22 (3). pp. 1691-1706. ISSN 1528-7483

Shahid, Muhid and Faure, Chloé and Ottoboni, Sara and Lue, Leo and Price, Chris (2022) Employing constant rate filtration to assess active pharmaceutical ingredient washing efficiency. Organic Process Research and Development, 26 (1). pp. 97-110. ISSN 1083-6160

2021

Lue, Leo and Bishop, Marvin and Whitlock, Paula A. (2021) Molecular dynamics study of six-dimensional hard hypersphere crystals. Journal of Chemical Physics, 155 (14). 144502. ISSN 0021-9606

McGarvey, S. and Carruthers, A. and Li, Jun and Lue, Leo (2021) An integrated kinetic model to estimate the quality and composition of syngas from the supercritical water gasification of biomass. In: 28th Annual SCI-CSCST Conference, 2021-09-09 - 2021-09-10.

Moir, Craig and Lue, Leo and Bannerman, Marcus N. (2021) Tethered-particle model : the calculation of free energies for hard-sphere systems. Journal of Chemical Physics, 155 (6). 064504. ISSN 0021-9606

Martí Rosselló, Teresa and Li, Jun and Lue, Leo and Kärlstrom, Oskar and Brink, Anders (2021) Comprehensive assessment of particle-scale modeling for biomass pyrolysis : one-dimensional versus three-dimensional models. Energy and Fuels, 35 (12). pp. 9937-9949. ISSN 0887-0624

Martí-Rosselló, Teresa and Ray, Paul and Li, Jun and Lue, Leo (2021) Numerical model for the combustion of a thermal lance. Industrial and Engineering Chemistry Research, 60 (21). pp. 7788-7801. ISSN 0888-5885

Shahid, Muhid and Sanxaridou, Georgia and Ottoboni, Sara and Lue, Leo and Price, Chris (2021) Exploring the role of anti-solvent effects during washing on active pharmaceutical ingredient purity. Organic Process Research and Development, 25 (4). pp. 969-981. ISSN 1083-6160

2020

Cardona, Javier and Jorge, Miguel and Lue, Leo (2020) Simple corrections for the static dielectric constant of liquid mixtures from model force fields. Physical Chemistry Chemical Physics, 22 (38). pp. 21741-21749. ISSN 1463-9084

2019

Cao, Wenhan and Martí-Rosselló, Teresa and Li, Jun and Lue, Leo (2019) Prediction of potassium compounds released from biomass during combustion. Applied Energy, 250. pp. 1696-1705. ISSN 0306-2619

Martí-Rosselló, Teresa and Li, Jun and Lue, Leo and Kärlstrom, Oskar and Brink, Anders (2019) Heat transfer behaviour of a wheat straw pellet undergoing pyrolysis. In: ICAE2019: The 11th International Conference on Applied Energy, 2019-08-12 - 2019-08-15.

Sweatman, Martin B. and Lue, Leo (2019) The giant SALR cluster fluid : a review. Advanced Theory and Simulations, 2 (7). 1900025. ISSN 2513-0390

Stoliarskaia, Daria and Thomson, Kelly and Lue, Leo and Chen, Yi-Chieh; Ferraro, Pietro and Grilli, Simonetta and Ritsch-Marte, Monika and Hitzenberger, Christoph K., eds. (2019) The effect of particle aspect ratio on spatially and angularly resolved vis-NIR spectroscopy of suspensions. In: Proceedings of SPIE - The International Society for Optical Engineering. Society of Photo-Optical Instrumentation Engineers, Bellingham, Washington. ISBN 9781510627994

Shahid, Muhid and Sanxaridou, Georgia and Ottoboni, Sara and Lue, Leo and Price, Chris (2019) Understanding and mitigating the consequences of undesired crystallisation taking place during washing of active pharmaceuticals. In: British Association of Crystal Growth 50th Annual Conference, 2019-07-09 - 2019-07-11, Sussex Place.

Martin-Molina, Alberto and Lue, Leo and Quesada-Perez, Manuel and Bohinc, Klemen (2019) Interaction between charged lipid vesicles and point- or rod-like trivalent ions. Colloids and Surfaces B: Biointerfaces, 178. pp. 525-529. ISSN 0927-7765

Moir, Craig and Lue, Leo and Gale, Julian D. and Raiteri, Paolo and Bannerman, Marcus N. (2019) Anomalous heat transport in binary hard-sphere gases. Physical Review E, 99 (3). 030102. ISSN 2470-0053

Cao, Wenhan and Peshkur, Tanya and Lue, Leo and Li, Jun (2019) Experimental study on the influences of operating parameters on the retention of potassium during the biomass combustion. Energy Procedia, 158. pp. 1033-1038. ISSN 1876-6102

Jorge, Miguel and Lue, Leo (2019) The dielectric constant : reconciling simulation and experiment. Journal of Chemical Physics, 150 (8). 084108. ISSN 0021-9606

2018

Dix, James and Lue, Leo and Carbone, Paola (2018) Why different water models predict different structures under 2D confinement. Journal of Computational Chemistry, 39 (25). pp. 2051-2059. ISSN 0192-8651

Martí-Rosselló, Teresa and Li, Jun and Lue, Leo (2018) Quantitatively modelling kinetics through a visual analysis of the derivative thermogravimetric curves : application to biomass pyrolysis. Energy Conversion and Management, 172. pp. 296-305. ISSN 0196-8904

Duncan, P and Cardona, J and Lue, L (2018) Structure and cluster formation in size asymmetric soft electrolyte. In: CCP5 AGM 2018, 2018-09-10 - 2018-09-12.

Duncan, PM and Cardona-Amengual, J and Lue, L (2018) Structure and cluster formation in size asymmetric soft electrolyte systems. In: 32nd Conference of the European Colloid and Interface Society, 2018-09-02 - 2018-09-07, University of Ljubljana.

Lue, Leo (2018) A diagrammatic analysis of the variational perturbation method for classical fluids. Soft Matter, 14. pp. 4721-4734. ISSN 1744-6848

Chen, Yi-Chieh and Tiernan-Vandermotten, Sarra and Lue, Leo and Ferreira, Carla Sofia and Sefcik, Jan and Thennadil, Suresh (2018) Effect of particle size distribution on spatially and angularly resolved diffuse reflectance measurement. European Pharmaceutical Review, 23 (1). pp. 34-37. ISSN 1360-8606

Cardona, Javier and Sweatman, Martin B. and Lue, Leo (2018) Molecular dynamics investigation of the influence of the hydrogen bond networks in ethanol/water mixtures on dielectric spectra. Journal of Physical Chemistry B, 122 (4). pp. 1505-1515. ISSN 1520-6106

Cao, Wenhan and Li, Jun and Lue, Leo (2018) Study on the ignition behavior and kinetics of combustion of biomass. Energy Procedia, 142. pp. 136-141. ISSN 1876-6102

2017

Fan, Ding and Lue, Leo and Yang, Shangtong (2017) Molecular dynamics study of interfacial stress transfer in graphene-oxide cementitious composites. Computational Materials Science, 139. 56–64. ISSN 0927-0256

Al-fnaish, Heba and Lue, Leo (2017) Modelling the solubility of H2S and CO2 in ionic liquids using PC-SAFT equation of state. Fluid Phase Equilibria, 450. pp. 30-41. ISSN 0378-3812

Grassia, P. and Lue, L. and Torres-Ulloa, C. and Berres, S. (2017) Foam front advance during improved oil recovery : similarity solutions at early times near the top of the front. Journal of Fluid Mechanics, 828. pp. 527-572. ISSN 0022-1120

Marti Rossello, Teresa and Li, Jun and Lue, Leo (2017) Kinetic analysis of biomass pyrolysis with a peak temperature method. In: The 25th European Biomass Conference and Exhibition, 2017-06-12 - 2017-06-15.

Minton, Geraint and Purkayastha, Rajlakshmi and Lue, Leo (2017) A non-electroneutral model for complex reaction-diffusion systems incorporating species interactions. Journal of the Electrochemical Society, 164 (11). E3276-E3290. ISSN 0013-4651

Thomson, Kelly and Stoliarskaia, Daria and Tiernan-Vandermotten, Sarra and Lue, Leo and Chen, Yi-Chieh; Coté, Gerard L., ed. (2017) Simulation of diffuse reflectance for characterisation of particle suspensions. In: Optical Diagnostics and Sensing XVII. Proceedings of SPIE, 10072 . Society of Photo-Optical Instrumentation Engineers, USA. ISBN 9781510605855

Al Fnaish, H. and Lue, L. (2017) Modelling the solubility of H2S and CO2 in ionic liquids using PC-SAFT equation of state. In: Third International Conference of Ionic liquids in Separation and Purification Technology, 2017-01-08 - 2017-01-11, Renaissance Kuala Lumpur Hotel.

Khalifa, Mansour and Lue, Leo (2017) A group contribution method for predicting the solubility of mercury. Fluid Phase Equilibria. pp. 76-84. ISSN 0378-3812

2016

Lue, Leo; Wu, Jianzhong, ed. (2016) Variational perturbation theory for electrolyte solutions. In: Variational Methods in Molecular Modeling. Molecular Modeling and Simulation . Springer, pp. 137-154. ISBN 9789811025006

Martí Rosselló, Teresa and Li, Jun and Lue, Leo (2016) Kinetic models for biomass pyrolysis. Archives of Industrial Biotechnology, 1 (1). pp. 4-7.

Cao, Wenhan and Li, Jun and Lue, Leo and Zhang, Xiaolei (2016) Release of alkali metals during biomass thermal conversion. Archives of Industrial Biotechnology, 1 (1). pp. 1-3.

Bohinc, Klemen and Reščič, Jurij and Lue, Leo (2016) Interactions between charged surfaces mediated by stiff, multivalent zwitterionic polymers. Soft Matter, 12 (19). pp. 4397-4405. ISSN 1744-6848

Sweatman, Martin B and Lue, Leo (2016) The cluster vapor to cluster solid transition. Journal of Chemical Physics, 144 (17). 171102. ISSN 0021-9606

Cardona, Javier and Fartaria, Rui and Sweatman, Martin B. and Lue, Leo (2016) Molecular dynamics simulations for the prediction of the dielectric spectra of alcohols, glycols, and monoethanolamine. Molecular Simulation, 42 (5). pp. 370-390. ISSN 1029-0435

Magueijo, Vitor and Tung, Chad Ben and Lue, Leo (2016) Substitute green solvents for the production of polymeric membranes. In: ChemEng Day UK, 2016-03-31 - 2016-04-01, University of Bath.

Sellars, Philip B. and Lue, Leo and Burns, Iain S. and Work, D. Neil (2016) Freezing properties of alkenyl succinic anhydrides derived from linear isomerised olefins. Industrial and Engineering Chemistry Research, 55 (8). 2287–2292. ISSN 0888-5885

Bohinc, Klemen and Lue, Leo (2016) On the electrostatics of DNA in chromatin. AIMS Biophysics, 3 (1). pp. 75-87. ISSN 2377-9098

Minton, Geraint and Lue, Leo (2016) The influence of excluded volume and excess ion polarizability on the capacitance of the electric double layer. Molecular Physics, 114 (16-17). pp. 2477-2491. ISSN 0026-8976

2015

Bohinc, Klemen and Lue, Leo (2015) A field theoretic approach to the electric interfacial layer : mixture of trivalent rod-like and monovalent point-like ions between charged walls. Modern Physics Letters B, 29 (32). 1550202. ISSN 0217-9849

Cardona, Javier and Lue, Leo (2015) Effect of external electric fields on thermodynamic properties. In: AMPERE - 15th International Conference on Microwave and High Frequency Heating, 2015-09-14 - 2015-09-17, Krakow University of Technology.

Lue, Leo (2015) Application of the functional renormalization group method to classical free energy models. AIChE Journal, 61 (9). pp. 2985-2992. ISSN 0001-1541

Bohinc, Klemen and Lue, Leo (2015) The interaction between like-charged nanoparticles mediated by rod-like ions. Journal of Nanoscience and Nanotechnology, 15 (5). pp. 3468-3475. ISSN 1533-4880

Curtis, Robin A. and Lue, Leo (2015) Depletion forces due to image charges near dielectric discontinuities. Current Opinion in Colloid and Interface Science, 20 (1). pp. 19-23. ISSN 1359-0294

Mosses, Joanna and Turton, David A. and Lue, Leo and Sefcik, Jan and Wynne, Klaas (2015) Crystal templating through liquid–liquid phase separation. Chemical Communications, 51 (6). pp. 1139-1142. ISSN 1359-7345

Lue, Leo and Linse, Per (2015) Ions confined in spherical dielectric cavities modeled by a splitting field-theory. Journal of Chemical Physics, 142 (14). 144902. ISSN 0021-9606

2014

Gaca, Katarzyna and Parkinson, John and Lue, Leo and Sefcik, Jan (2014) Equilibrium speciation in moderately concentrated formaldehyde−methanol−water solutions investigated using 13C and 1H nuclear magnetic resonance spectroscopy. Industrial and Engineering Chemistry Research, 53 (22). pp. 9262-9271. ISSN 0888-5885

Duncan, Paul Matthew and Hatlo, Marius M. and Lue, Leo; Dean, David S. and Dobnikar, Jure and Naji, Ali and Podgornik, Rudolph, eds. (2014) A field theory approach for modeling electrostatic interactions in soft matter. In: Electrostatics of Soft and Disordered Matter. Pan Stanford Publishing, pp. 11-24. ISBN 9789814411851

Sweatman, Martin B. and Fartaria, Rui and Lue, Leo (2014) Cluster formation in fluids with competing short-range and long-range interactions. Journal of Chemical Physics, 140 (12). 124508. ISSN 0021-9606

Linse, Per and Lue, Leo (2014) Green's function for a spherical dielectric discontinuity and its application to simulation. Journal of Chemical Physics, 140 (4). 044903. ISSN 0021-9606

Thomson, Chris and Lue, L. and Bannerman, Marcus N. (2014) Mapping continuous potentials to discrete forms. Journal of Chemical Physics, 140 (3). 034105. ISSN 0021-9606

Butt, H. J. and Duran, H. and Egger, W. and Faupel, F. and Harmandaris, V. and Harms, S. and Johnston, K. and Kremer, K. and Lin, F. Y. and Lue, L. and Ohrt, C. and Raetzke, K. and Ravelli, L. and Steffen, W. and Vianna, S. D. B. (2014) Interphase of a polymer at a solid interface. Macromolecules, 47 (23). pp. 8459-8465. ISSN 0024-9297

2013

Amengual, Javier Cardona and Lue, Leo and Sweatman, Martin (2013) Feasibility of the microwave regeneration of impregnated adsorbents for carbon capture. In: International Conference on Scientific Computing 2013, 2013-12-03 - 2013-12-06.

Satomi, Ryo and Grassia, Paul and Cox, Simon and Mishuris, Gennady and Lue, Leo (2013) Diffusion of curvature on a sheared semi-infinite film. Proceedings A: Mathematical, Physical and Engineering Sciences, 469 (2159). 20130359. ISSN 1471-2962

Bohinc, Klemen and Rescic, Jurij and Dufreche, Jean-Francois and Lue, Leo (2013) Recycling of uranyl from contaminated water. Journal of Physical Chemistry B, 117 (37). pp. 10846-10851.

2012

Hatlo, Marius M. and Banerjee, Priyanka and Forsman, Jan and Lue, Leo (2012) Density functional theory for Yukawa fluids. Journal of Chemical Physics, 137 (6). pp. 1-9. 064115. ISSN 0021-9606

Hatlo, Marius M. and van Roij, Rene and Lue, Leo (2012) The electric double layer at high surface potentials : the influence of excess ion polarizability. EPL: A Letters Journal Exploring the Frontiers of Physics, 97 (2). 28010. ISSN 0295-5075

Jones, J. W. and Lue, L. and Saiani, A. and Tiddy, G. J. T. (2012) Density, DSC, X-ray and NMR measurements through the gel and lamellar phase transitions of 1-myristoyl-2-stearoyl-sn-glycero-3-phosphatidylcholine (MSPC) and 1-stearoyl-2-myristoyl-sn-glycero-3-phosphatidylcholine (SMPC : observation of slow relaxation processes and mechanisms of phase transitions. Physical Chemistry Chemical Physics, 14 (16). pp. 5452-5469. ISSN 1463-9084

Bohinc, Klemen and Grime, John M. A. and Lue, Leo (2012) The interactions between charged colloids with rod-like counterions. Soft Matter, 8 (20). pp. 5679-5686. ISSN 1744-6848

2011

Lue, Leo and Linse, Per (2011) Macroion solutions in the cell model studied by field theory and Monte Carlo simulations. Journal of Chemical Physics, 135 (22). 224508. ISSN 0021-9606

Bannerman, M. N. and Sargant, R. and Lue, L. (2011) DynamO : a free O(N) general event-driven molecular dynamics simulator. Journal of Computational Chemistry, 32 (15). pp. 3329-3338. ISSN 0192-8651

Bohinc, Klemen and Lue, Leo (2011) Interaction of similarly charged surfaces mediated by nanoparticles. Chinese Journal of Polymer Science, 29 (4). pp. 414-420. ISSN 0256-7679

2010

Carbone, Paola and Lue, Leo (2010) Prediction of bulk density and molecular packing in model dendrimers with different chain stiffness. Macromolecules, 43 (21). pp. 9191-9197. ISSN 0024-9297

Bannerman, Marcus N. and Lue, Leo (2010) Exact on-event expressions for discrete potential systems. Journal of Chemical Physics, 133 (12). 124506. ISSN 0021-9606

Hatlo, Marius M. and Bohinc, Klemen and Lue, Leo (2010) The properties of dimers confined between two charged plates. Journal of Chemical Physics, 132 (11). p. 114102. ISSN 0021-9606

Lue, L. and Bishop, Marvin and Whitlock, Paula A. (2010) The fluid to solid phase transition of hard hyperspheres in four and five dimensions. Journal of Chemical Physics, 132 (10). p. 104509. ISSN 0021-9606

Banneman, Marcus N. and Lue, Leo and Woodcock, Leslie V. (2010) Thermodynamic pressures for hard spheres and closed-virial equation-of-state. Journal of Chemical Physics, 132 (8). 084507. ISSN 0021-9606

Hatlo, M.M. and Lue, L. (2010) Electrostatic interactions of charged bodies from the weak- to the strong-coupling regime. EPL: A Letters Journal Exploring the Frontiers of Physics, 89 (2). 25002. ISSN 0295-5075

Jones, J.W. and Lue, L. and Ormerod, A.P. and Tiddy, G.J.T. (2010) The influence of sodium chloride on the self-association and chromonicmesophase formation of Edicol Sunset Yellow. Liquid Crystals, 37 (6-7). pp. 711-722. ISSN 0267-8292

2009

Hatlo, Marius M. and Karatrantos, Argyrios and Lue, Leo (2009) One-component plasma of point charges and of charged rods. Physical Review E, 80 (6). ISSN 2470-0053

Green, T. E. and Grassia, P. and Lue, L. and Embley, B. (2009) Viscous froth model for a bubble staircase structure under rapid applied shear : an analysis of fast flowing foam. Colloids and Surfaces A: Physicochemical and Engineering Aspects, 348 (1-3). pp. 49-58. ISSN 0927-7757

Bannerman, M. N. and Magee, J. E. and Lue, L. (2009) Structure and stability of helices in square-well homopolymers. Physical Review E, 80 (2). ISSN 2470-0053

Bannerman, Marcus N. and Lue, Leo (2009) Transport properties of highly asymmetric hard-sphere mixtures. Journal of Chemical Physics, 130 (16). 164507. ISSN 0021-9606

Bannerman, Marcus N. and Green, Thomas E. and Grassia, Paul and Lue, Leo (2009) Collision statistics in sheared inelastic hard spheres. Physical Review E, 79 (4). 041308. ISSN 2470-0053

Hatlo, Marius M. and Lue, Leo (2009) A field theory for ions near charged surfaces valid from weak to strong couplings. Soft Matter, 5 (1). pp. 125-133. ISSN 1744-6848

2008

Magee, James E. and Lue, Leo and Curtis, Robin A. (2008) Density of states for a short overlapping-bead polymer: Clues to a mechanism for helix formation? Physical Review E, 78 (3). 031803. ISSN 2470-0053

Hatlo, Marius M. and Curtis, R.A. and Lue, Leo (2008) Electrostatic depletion forces between planar surfaces. Journal of Chemical Physics, 128 (16). 164717. ISSN 0021-9606

Grassia, P. and Montes-Atenas, G. and Lue, L. and Green, T. E. (2008) A foam film propagating in a confined geometry : analysis via the viscous froth model. European Physical Journal E - Soft Matter, 25 (1). pp. 39-49. ISSN 1292-8941

Hatlo, Marius M. and Lue, Leo (2008) The role of image charges in the interactions between colloidal particles. Soft Matter, 4 (8). pp. 1582-1596. ISSN 1744-6848

2007

Magee, James E. and Song, Zhankai and Curtis, Robin A. and Lue, L. (2007) Structure and aggregation of a helix-forming polymer. Journal of Chemical Physics, 126 (14). 144911. ISSN 0021-9606

2006

Green, T. E. and Bramley, A. and Lue, L. and Grassia, P. (2006) Viscous froth lens. Physical Review E, 74 (5). 051403. ISSN 2470-0053

Magee, James E. and Vasquez, Victor R. and Lue, Leo (2006) Helical structures from an isotropic homopolymer model. Physical Review Letters, 96. p. 207802. ISSN 1079-7114

Lue, L. and Bishop, Marvin (2006) Molecular dynamics study of the thermodynamics and transport coefficients of hard hyperspheres in six and seven dimensions. Physical Review E, 74 (2). 021201. ISSN 2470-0053

Lue, L. (2006) A variational field theory for solutions of charged, rigid particles. Fluid Phase Equilibria, 241 (1-2). pp. 236-247. ISSN 0378-3812

Angle, C.W. and Long, Y. and Hazma, H. and Lue, L. (2006) Precipitation of asphaltenes from solvent-diluted heavy oil and thermodynamic properties of solvent-diluted heavy oil solutions. Fuel, 85 (4). pp. 492-506.

Curtis, R.A. and Lue, L. (2006) A molecular approach to bioseparations : protein-protein and protein-salt interactions. Chemical Engineering Science, 61 (3). pp. 907-923. ISSN 0009-2509

2005

Curtis, R.A. and Lue, L. (2005) Electrolytes at spherical dielectric interfaces. Journal of Chemical Physics, 123 (17). ISSN 0021-9606

Jones, J. W. and Lue, L. and Saiani, A. and Tiddy, G. J. T. (2005) Density measurements through the gel and lamellar phase transitionsof di-tetradecanoyl- and di-hexadecanoyl-phosphatidylcholines : observation of slow relaxation processes and mechanisms of phase transitions. Liquid Crystals, 32 (11-12). pp. 1465-1481. ISSN 0267-8292

Angle, C. W. and Lue, L. and Dabros, T. and Hamza, H. A. (2005) Viscosities of heavy oils-in-toluene and partially deasphalted heavyoils-in-heptol in the study of asphaltenes self-interactions. Energy and Fuels, 19. pp. 2014-2020.

Lue, L. (2005) Collision statistics, thermodynamics, and transport coefficients of hard hyperspheres in three, four, and five dimensions. Journal of Chemical Physics, 122. 044513. ISSN 0021-9606

2004

Magee, James E. and Warwicker, J. and Lue, L. (2004) Freezing and folding behavior in simple off-lattice heteropolymers. Journal of Chemical Physics, 120 (23). pp. 11285-11291. ISSN 0021-9606

Striolo, Alberto and Colina, Coray M. and Gubbins, Keith E. and Elvassore, Nicola and Lue, L. (2004) The depletion attraction between pairs of colloid particles in polymer solution. Molecular Simulation, 30 (7). pp. 437-449. ISSN 1029-0435

2002

Lue, L. and Jepps, O. G. and Delhommelle, J. and Evans, D. J. (2002) Configurational thermostats for molecular systems. Molecular Physics, 100 (14). pp. 2387-2395.

Lue, Leo and Woodcock, Leslie V. (2002) Depletion and ''fines'' effects on transport in hard-sphere colloids. International Journal of Thermophysics, 23 (4). pp. 937-947.

Lue, L. and Kiselev, S.B. (2002) Star polymers in good solvents from dilute to concentrated regimes : crossover approach. Condensed Matter Physics, 5 (1). pp. 73-104. ISSN 2224-9079

Lue, Leo and Kiselev, Sergei B. (2002) Crossover behavior of linear and star polymers in good solvents. International Journal of Thermophysics, 23 (1). pp. 117-134.

Kiselev, S.B. and Ely, J.F. and Lue, L. and Elliott, J.R. (2002) Computer simulations and crossover equation of state of square-well fluids. Fluid Phase Equilibria, 200 (1). pp. 121-145. ISSN 0378-3812

Triftaridou, Aggeliki I. and Vamvakaki, Maria and Patrickios, Costas S. and Lue, L. (2002) Synthesis, characterization, and modeling of ABC triblock terpolymers: the effect of block sequence. Macromolecular Symposia, 183 (1). pp. 133-138. ISSN 1022-1360

2001

Lue, L. and Woodcock, L. V. (2001) Heated exchanges. Chemistry in Britain, 37 (8). pp. 38-40. ISSN 0009-3106

Lue, L. and Kiselev, S. B. (2001) Crossover behavior of star polymers in good solvents. Journal of Chemical Physics, 114 (11). pp. 5026-5033. ISSN 0021-9606

2000

Patrickios, C. S. and Lue, L. (2000) Equation of state for star polymers in good solvents. Journal of Chemical Physics, 113 (13). pp. 5485-5492. ISSN 0021-9606

Lue, L. and Evans, D. J. (2000) Configurational temperature for systems with constraints. Physical Review E: Statistical Physics, Plasmas, Fluids, and Related Interdisciplinary Topics, 62 (4). pp. 4764-4768. ISSN 2470-0053

Lue, L. and Friend, D.G. and Elliott, J.R. (2000) Critical compressibility factors for chain molecules. Molecular Physics, 98 (18). pp. 1473-1477. ISSN 0026-8976

Lue, L. (2000) Equation of state for polymer chains in good solvents. Journal of Chemical Physics, 112 (7). pp. 3442-3449. ISSN 0021-9606

Lue, L. (2000) Volumetric behavior of athermal dendritic polymers: Monte Carlo simulation. Macromolecules, 33 (6). pp. 2266-2272. ISSN 0024-9297

1999

Li, H. and Lue, L. and Patrickios, C.S. (1999) Benzene oligocarboxylic acids: characterization by isocratic, lineargradient, and frontal anion-exchange chromatography. Journal of Chromatographic Science, 37 (11). pp. 413-422.

Lue, L. and Kiselev, S.B. (1999) Crossover behavior in dilute polymer solutions: Square-well chains. Journal of Chemical Physics, 111 (12). pp. 5580-5592. ISSN 0021-9606

Lue, L. and Zoeller, N. and Blankschtein, D. (1999) Incorporation of nonelectrostatic interactions in the Poisson- Boltzmann equation. Langmuir, 15 (11). pp. 3726-3730.

Lue, L. and Woodcock, L. V. (1999) Depletion effects and gelation in a binary hard-sphere fluid. Molecular Physics, 96 (9). pp. 1435-1443. ISSN 0026-8976

Fornasiero, F. and Lue, L. and Bertucco, A. (1999) Improving cubic EOSs near the critical point by a phase-space cell approximation. AIChE Journal, 45 (4). pp. 906-915. ISSN 0001-1541

Lue, L. and Kiselev, S. B. (1999) Crossover approach to scaling behavior in dilute polymer solutions: theory and simulation. Journal of Chemical Physics, 110 (5). pp. 2684-2691. ISSN 0021-9606

Kiselev, S. B. and Lue, L. and Belyakov, M. Y. (1999) Universal crossover function and non-universal order-parameter profiles for critical adsorption. Physics Letters A, 260 (1-2). p. 168. ISSN 0375-9601

1998

Lue, L. (1998) An analytic formula for the excluded volume between a sphere and a freely jointed chain. Journal of Colloid and Interface Science, 202 (2). pp. 558-561. ISSN 0021-9797

Lue, L. and Prausnitz, J. M. (1998) Thermodynamics of fluid mixtures near to and far from the critical region. AIChE Journal, 44 (6). pp. 1455-1466. ISSN 0001-1541

Lue, L. and Prausnitz, J. M. (1998) Renormalization-group corrections to an approximate free-energy model for simple fluids near to and far from the critical region. Journal of Chemical Physics, 108 (13). pp. 5529-5536. ISSN 0021-9606

1997

Lue, L. and Prausnitz, J. M. (1997) Structure and thermodynamics of homogeneous-dendritic-polymer solutions: Computer simulation, integral-equation, and lattice-cluster theory. Macromolecules, 30 (21). pp. 6650-6657.

Zoeller, N. and Lue, L. and Blankschtein, D. (1997) Statistical-thermodynamic framework to model nonionic micellar solutions. Langmuir, 13 (20). pp. 5258-5275.

1996

Lue, L. and Blankschtein, D. (1996) A liquid-state theory approach to modeling solute partitioning in phase-separated solutions. Industrial and Engineering Chemistry Research, 35 (9). pp. 3032-3043. ISSN 0888-5885

1995

Lue, L. and Blankschtein, D. (1995) Analytical solutions of the proper integral-equations for interaction site fluids: molecules composed of hard-sphere interaction sites. Journal of Chemical Physics, 103 (16). pp. 7086-7097. ISSN 0021-9606

Lue, L. and Blankschtein, D. (1995) Analytical solution of the proper integral-equations for interaction site fluids. Journal of Chemical Physics, 103 (3). pp. 1229-1231. ISSN 0021-9606

Lue, L. and Blankschtein, D. (1995) Application of integral equation theories to predict the structure, thermodynamics, and phase-behavior of water. Journal of Chemical Physics, 102 (13). pp. 5427-5437. ISSN 0021-9606

Lue, L. and Blankschtein, D. (1995) Integral equations for interaction site fluids --- The influence of connectivity constraints and auxiliary sites. Journal of Chemical Physics, 102 (13). pp. 5460-5470. ISSN 0021-9606

Lue, L. and Blankschtein, D. (1995) Application of integral equation theories to predict the structure of diatomic fluids. Journal of Chemical Physics, 102 (10). pp. 4203-4216. ISSN 0021-9606

1994

Lue, L. and Blankschtein, D. (1994) Proper integral equations for interaction-site fluids: Exact free-energy expressions. Journal of Chemical Physics, 100 (4). pp. 3002-3012. ISSN 0021-9606

1992

Lue, L. and Blankschtein, D. (1992) Liquid-state theory of hydrocarbon-water systems: application to methane, ethane, and propane. Journal of Physical Chemistry B, 96 (21). pp. 8582-8594. ISSN 1520-6106