Phillip Choi

1. A. Rudin and P. Choi, “The Elements of Polymer Science and Engineering,” 4th Edition, Elsevier, Amsterdam, In Preparation (2022).

2. A. Rudin and P. Choi, “The Elements of Polymer Science and Engineering,” 3rd Edition, Elsevier, Amsterdam (2013).

3. The Portuguese version of the above textbook (translators: R. Cientifica and Traducao), Elsevier, Amsterdam (2015).

1. L. Zhao and P. Choi, “Molecular Modelling of Polymer Surfaces and Interfaces” in “Molecular Interfacial Phenomena of Polymers and Biopolymers,” P. Chen (Editor), Woodhead Publishing Ltd., Cambridge, 48 – 71 (2005).

2. J. E. I. Wright, L. Zhao, P. Choi and H. Uludag, “Simulating Hyroxyapatite Binding of Bone-Seeking Bisphosphonates” in “Biomaterials: From Molecules to Engineered Tissues,” N. Hasirci and V. Hasirci (Editors), Kluwer Academic/Plenum Publishers, New York, 139 – 148 (2004).

3. T. A. Kavassalis, P. Choi and A. Rudin, “Molecular Models and Three-Dimensional Solubility Parameters of Non-ionic Surfactants” in “Molecular Simulation and Industrial Applications: Methods, Examples and Prospects,” K. E. Gubbins and N. Quirke (Editors), Gordon and Breach Science Publishers, Amsterdam, 315 – 329 (1996).

1. S. Kavyani and P. Choi, “Molecular Dynamics Study of the Environmental Stress Cracking Agent Assisted Cavitation in Linear and Branched Polyethylene,” In Preparation (2022).

2. C.-P. J. Wong and P. Choi, “Polymer Free Volume and Its Connection to the Shear Relaxation Modulus,” In Preparation (2022).

3. D. Barker-Rothschild, S. R. Stoyanov, R. Gieleciak, M. Cruickshank, Cosmin Filipescu, D. Dunn and P. Choi, “Chemometrices and Lignocellulosic Biomass – Advanced Strategies for the Accelerated Analysis and Valorization of Lignin,” Submitted (2022).

4. S. Beth, P. Choi and S. Mushrif, “Thermochemistry and Kinetics of the Formation of Lignin-Carbohydrate Complex (LCC) Linkages in Lignocellulosic Biomass,” Submitted (2022).

5. R. Khalkhali, A. Peyravi, Z. Hashisho and P. Choi, “Microwave-Assisted Removal of Cyclohexane from Gangue,” Accepted to Industrial & Engineering Chemistry Research (2022).

6. S. Saadati, U. Eduok, H. Westphalen, A. Abdelrasoul, A. Shoker, P. Choi, H. Doan, F. Ein-Mozaffari and N. Zhu, “Assessment of Polyaryl Ether Sulfone (PES) and Polyacrylonitrile (PAN) Hemodialysis Clinical Membranes: in situ Synchrotron-based Imaging of Human Serum Proteins Adsorption, Interaction Analyses, Molecular Docking and Clinical Inflammatory Biomarkers Investigations,” Materials Today Communications, 29, 102928 (2021).

7. S. Saadati, U. Eduok, H. Westphalen, A. Abdelrasoul, A. Shoker, P. Choi, H. Doan, F. Ein-Mozaffari and N. Zhu, “In situ Synchrotron Imaging of Human Serum Proteins Interactions, Molecular Docking and Inflammatory Biomarkers of Hemocompatible Synthesized Zwitterionic Polymer Coated-Polyvinylidene Fluoride (PVDF) Dialysis Membranes,” Surfaces and Interfaces 27, 101505 (2021).

8. P. Choi, “On the Applicability of Regular Solution and Flory-Huggins Theories to Asphaltene Solutions,” a special issue dedicated to Prof. Hisham Nasr-el-din in the Canadian Journal of Chemical Engineering DOI: 10.1002/cjce.24247 (2021).

9. C.-P. J. Wong and P. Choi, “Estimation of Linear, Ring and Star Polyethylene Viscosity via Proper Orthogonal Decomposition and Voronoi Tessellation Analysis of Molecular Dynamics,” Accepted to a special issue dedicated to Prof. Michael Williams in the Canadian Journal of Chemical Engineering DOI: 10.1002/cjce.24155 (2021).

10. M. H. Anvari, P. Choi and Q. Liu, “A Molecular Dynamics Study on the Interfacial Properties of Millerite,” Journal of Molecular Liquids 334, 116031 (2021).

11. Y. Xiong, S. R. Stoyanov, A. Alvarez-Majmutov, R. Gieleciak, T. Cao, C. Wang, H. Song, N. Xie, L. Qi, S. Xu, W. Lin, P. Choi and Z. Xu, “Corrigendum to Self-assembly and Solubility Properties of Polyaromatic Compounds Studied by Molecular Dynamics Simulation [Fuel, 277, 118060 (2020)],” Fuel 291, 119944 (2021).

12. R. Khalkhali and P. Choi, “Role of the Composition of Cyclohexane Extracted Gangue on its Drying at Ambient Conditions” Canadian Journal of Chemical Engineering DOI: 10.1002/cjce.23964 (2021).

13. V. Kislitsin and P. Choi, “Comparison between the Kinetics of Cyclohexane Absorption and Desorption for Heterogeneous Bitumen Nanofilms,” Fuel, 283, 11836 (2021).

14. C.-P. J. Wong and P. Choi, “A Review on the Relaxation Dynamics Analysis of Unentangled Polymers with Different Structures,” Invited for a special issue on Recent Developments on Molecular Simulation, Molecular Simulation, 47, 888 – 899 (2021).

15. H. Westphalen, S. Saadati, U. Eduok, A. Abdelrasoul, A. Shoker, P. Choi, H. Doan and F. Ein-Mozaffari, “Case Studies of Clinical Hemodialysis Membranes: Influences of Membranes Morphology and Biocompatibility on Uremic Blood Interactions and Inflammatory Biomarkers,” Scientific Reports, 10 (1), 1 – 18 (2020).

16. T. Shui, V. Khatri, M. Chae, S. Sokhansanj, P. Choi and D. C. Bressler, “Development of a Torrefied Wood Pellet Binder from the Cross-linking between Specified Risk Materials-Derived Peptides and Epoxidized Poly (vinyl alcohol),” Renewable Energy, 162, 71 – 80 (2020). 17. S. Saadati, H. Westphalen, U. Eduok, A. Abdelrasoul, A. Shoker, P. Choi, H. Doan, F. Ein-Mozaffari and N. Zhu, “Biocompatibility Enhancement of Hemodialysis Membranes Using Novel Zwitterionic Copolymer: Experimental, in situ Synchrotron Imaging, Molecular Docking, and Clinical Inflammatory Biomarkers Investigations,” Materials Science & Engineering C, 117, 111301 (2020).

18. C.-P. J. Wong and P. Choi, “Prediction of Crossover in the Molecular Weight Dependence of Polyethylene Viscosity Using a Polymer Free Volume Theory,” Highlighted on the outside back cover of the journal, Soft Matter, 16, 7458 – 7469 (2020).

19. C.-P. J. Wong and P. Choi, “A Theory on the Effect of Temperature on the Chain Length Dependence of the Diffusivity of Oligomers,” Soft Matter, 16, 4283 – 4289 (2020).

20. V. Kislitsin and P. Choi, “Initial Mass Uptake Dynamics and Diffusivity of Cyclohexane Vapor in Nano-Scale Bitumen Films Coated on Substrates with Different Degrees of Hydrophobicity,” Fuel 271, 117507 (2020).

21. C.-P.J. Wong and P. Choi, “On the Diffusivity of Ring Polymers,” Soft Matter 16, 2350 – 2362 (2020).

22. V. Kislitsin and P. Choi, “Thickness Dependence of the Diffusivity and Solubility of Cyclohexane in Nanoscale Bitumen Films,” ACS Omega 4 (25), 21578 – 21586 (2019).

23. M. Khalkhali, X. Zhu, Y. Shi, Q. Liu, P. Choi and H. Zhang, “Structure and CO2 Physisorption Capacity of Hydrotalcite-derived Oxide,” Journal of CO2 Utilization 36, 64 – 75 (2019).

24. C.-P. J. Wong and P. Choi, “A Free Volume Theory on the Chain Length Dependence of the Diffusivity of Linear Polymers,” Soft Matter, 15, 9300 – 9309 (2019).

25. H. Tao, M. Liu, S. Liu, J. Luo, P. Choi, Q. Liu and Z. Xu, “Revelation of the Nature of Ligand-PbS Bond and its Implication on Chemical Functionalization of PbS,” Journal of Physical Chemistry C, 123 (37), 22981 – 22988 (2019).

26. M. H. Anvari and P. Choi, “Effect of Confinement on the Adsorption Behavior of Inorganic and Organic Ions at Aqueous-Cyclohexane Interfaces: A Molecular Dynamics Study,” Physical Chemistry Chemical Physics, 21 (37), 20770 – 20781 (2019).

27. B. B. Adhikari, M. Chae, C. Zhu, A. Khan, D. Harfield, P. Choi and D. C. Bressler, “Pelletization of Torrefied Wood Using a Proteinaceous Binder Developed from Hydrolyzed Specified Risk Materials,” Processes, 7 (4), 229 (2019).

28. C.-P. J. Wong and P. Choi, “Analysis of Brownian Dynamics and Molecular Dynamics Data of Unentangled Polymers Using Proper Orthogonal Decomposition,” Macromolecular Theory and Simulations, 28, 1800072 (2019).

29. H. Tao, P. Choi, Q. Liu and Z. Xu, “Chemical Functionalization of ZnS: A Perspective from the Ligand-ZnS Bond Character,” Journal of Physical Chemistry C, 123 (10), 6054 – 6061 (2019).

30. Y. Tang, X. Zhang, P. Choi, Q. Liu and Z. Xu, “Contributions of van der Waals Interaction and Hydrophobic Attraction to Molecular Adhesions on a Hydrophobic Surface in Water,” Langmuir, 34 (47), 14196 – 14203 (2018).

31. M. H. Anvari and P. Choi, “Salt-Induced Phase-Separation of Water and Cyclohexane within a Kaolinite Nanopore: A Molecular Dynamics Study,” Journal of Physical Chemistry C, 122 (42), 24215 – 24225 (2018).

32. M. Gao, M. Khalkhali, S. Beck, P. Choi and H. Zhang, “Study of the Thermal Stability of Hydrotalcite and Carbon Dioxide Adsorption Behavior on Hydrotalcite-Derived Mixed Oxides by Atomistic Simulations,” ACS Omega, 3 (9), 12041 – 12051 (2018).

33. C.-P.J. Wong and P. Choi, “Velocity Time Correlation Function of a Rouse Chain,” Computational Materials Science, 155, 320 – 324 (2018).

34. H. Tao, S. Liu, J. Luo, P. Choi, Q. Liu and Z. Xu, “Descriptor of Catalytic Activity of Metal Sulfides for Oxygen Reduction Reaction: A Potential Indicator for Mineral Flotation,” Journal of Materials Chemistry A, 6 (20), 9650 – 9656 (2018).

35. Z. N. Khorshidi, M. Khalkhali, H. Zhang and P. Choi, “Molecular Dynamics Study of the Role of Water in the Carbon Dioxide Intercalation in Chloride Ions Bearing Hydrotalcite,” Journal of Physical Chemistry C, 122 (17), 9507 – 9514 (2018).

36. Y. Tang, X. Zhang, P. Choi, R. Manica, Q. Liu, Z. Xu, “Noncovalent Functionalization of MoS2: Single-Molecule MoS2-Polymer Interaction and Efficient Aqueous Exfoliation of MoS2 Into Single-Layer,” Journal of Physical Chemistry C, 122 (15), 8262 – 8269 (2018).

37. Y. Tang, X. Zhang, P. Choi, Q. Liu, and Z. Xu, “Underwater Adhesion of a Stimuli-Responsive Polymer on Highly Ordered Pyrolyzed Graphene Surface: A Single-Molecule Force Study,” Journal of Physical Chemistry C, 122 (12), 6721 – 6729 (2018).

38. M. H. Anvari, Q. Liu, Z. Xu and P. Choi, “Molecular Dynamics Study of Hydrophilic Sphalerite (110) Surface as Modified by Normal and Branched Butylthiols,” Langmuir, 34 (10), 3363 – 3373 (2018).

39. Z. N. Khorshidi, X. Tan, Q. Liu and P. Choi, “Effect of Aqueous Medium Impurities (MgCl2 and CaCl2) on the Dissolution of Kaolinite’s Basal Surfaces in Alkali Media: A Molecular Dynamics Study,” Journal of Physical Chemistry C, 122 (9), 4937 – 4944 (2018).

40. B. B. Adhikari, V. Kislitsin, P. Appadu, M. Chae, P. Choi and D. C. Bressler, “Development of Hydrolyzed Protein-Based Plywood Adhesive from Slaughterhouse Waste: Effect of Chemical Modification of Hydrolyzed Protein on Moisture Resistance of Formulated Adhesives,” RSC Advances, 8 (8), 2996 – 3008 (2018).

41. Z. Naderi Khorshidi, X. Tan, Q. Liu and P. Choi, “Molecular Dynamics Study of the Dissolution Mechanism of the Basal Surfaces of Kaolinite in Alkaline Media,” Applied Clay Science 152, 29 – 37 (2018).

42. M. H. Anvari, Q. Liu, Z. Xu and P. Choi, “Line Tensions of Hydrophobic Galena (001) and Hydrophilic Sphalerite (110) Surfaces: A Molecular Dynamics Study,” Journal of Molecular Liquids, 248, 634 – 642 (2017).

43. Y. Tang, X. Zhang, P. Choi, Z. Xu, Q. Liu, “Probing Single-Molecule Adhesion of a Stimuli Responsive Oligo (ethylene glycol) Copolymer on a Molecularly-Smooth Hydrophobic MoS2 Basal Plane,” Langmuir, 33 (40), 10429 – 10438 (2017).

44. Z. Naderi Khorshidi, X. Tan, Q. Liu and P. Choi, “Influence of Structural Al and Si Vacancies on the Dissolution of Kaolinite Basal Surfaces with Alkali Cations: A Molecular Dynamics Study,” Computational Materials Science, 140, 267 – 274 (2017).

45. S. Panda, K. Pal, S. Merzara, M. R. Gray, Q. Liu and P. Choi, “Transport and Removal of a Solvent in Porous Media in the Presence of Bitumen, a Highly Viscous Solute,” Chemical Engineering Science, 165, 229 – 239 (2017).

46. R. Renaud, K. Pal, T. Weiss, P. Choi, Q. Liu and M. R. Gray, “Vacuum Drying of Cyclohexane from Solvent-Extracted Oilsands Gangue,” Canadian Journal of Chemical Engineering, 95, 459 – 466 (2017).

47. Y. Zhou and P. Choi, “Molecular Dynamics Study of Water Diffusion in an Amphiphilic Block Copolymer with Large Difference in the Blocks’ Glass Transition Temperatures,” (invited for a special issue on Environment and Sustainable Development) Frontiers in Chemical Science and Engineering, 11 (3), 440 – 447 (2017).

48. R. B. Teklebrhan, C. Jiang, P. Choi, Z. Xu, and J. Sjöblom, “Competitive Adsorption of Naphthenic Acids against Polyaromatic Molecules at the Oil-Water Interface,” Journal of Physical Chemistry B, 120 (50), 12901 – 12910 (2016).

49. X. Tong, P. Choi, S. Li, Y. Shi, H. Zhang, “Molecular Dynamics Study on Structure Evolution of Organically Intercalated Layered Double Hydroxide,” RSC Advances, 6, 98804 – 98811 (2016).

50. B. B. Adhikari, P. Appadu, V. Kislitsin, M. Chae, P. Choi and D. C. Bressler, “Enhancing the Adhesive Strength of a Plywood Adhesive Developed from Hydrolyzed Specified Risk Materials,” (invited for a special issue on Adhesives) Polymers 8 (8), 285 – 297 (2016).

51. S. Nusri, X. Tan, P. Choi and Q. Liu, “Using Surface Geopolymerization Reactions to Strengthen Athabasca Oil Sands Mature Fine Tailings,” Canadian Journal of Chemical Engineering 94 (9), 1640 – 1647 (2016).

52. F. Bayati, Y. Boluk and P. Choi, “A Short Review of Using Wood Fibres in Food Packaging,” (invited for a special issue in honour of Prof. Theo van de Ven) The Journal of Science and Technology for Forest Products and Processes, 5 (4), 45 – 53 (2016).

53. F. Bayati, Y. Boluk and P. Choi, “Effect of Humidity on the Permeability of Alcohols in Hydroxypropyl Xylan Films,” ACS Sustainable Chemistry & Engineering 4 (5), 2578 – 2583 (2016).

54. R. B. Teklebrhan, C. Jiang, P. Choi, Z. Xu and J. Sjöblom, “Role of Naphthenic Acids on Controlling the Self-Aggregation a Polyaromatic Compound in Toluene,” Journal of Physical Chemistry B 120 (14), 3516 – 3526 (2016).

55. N. Razavilar and P. Choi, “Diffusivity of Cucurbitacin B in Water Swollen PEO-b-PCL Matrices with Different PCL/PEO Weight Ratios,” Computational Materials Science 118, 97 – 102 (2016).

56. A. Telmadarreir, A. Doda, J. J. Trivedi, E. Kuru, P. Choi, “CO2 Microbubbles - a Potential Fluid for Enhanced Oil Recovery: Microscopic and Porous Media Studies,” Journal of Petroleum Science and Engineering 138, 160 – 173 (2016).

57. X. Tan, L. Vagi, Q. Liu, P. Choi, and M. R. Gray, “Sorption Equilibrium and Kinetics for Cyclohexane, Toluene and Water on Athabasca Oilsands Solids,” Canadian Journal of Chemical Engineering 94 (2), 220 – 230 (2016).

58. H. Nikakhtari, K. Pal, S. Wolf, P. Choi, Q. Liu and M. R. Gray, “Solvent Removal from Cyclohexane-Extracted Oilsands Gangue,” Canadian Journal of Chemical Engineering, 94 (3), 408 – 414 (2016).

59. F. Bayati, Y. Boluk and P. Choi, “Inverse Gas Chromatography Study of the Permeability of Aroma through Hydroxypropyl Xylan Films,” ACS Sustainable Chemistry & Engineering 3 (12), 3114 – 3122 (2015).

60. H. S. Abyaneh, M. R. Vakili, S. Zhan, P. Choi, A. Lavasanifar, “Rationale Design of Block Copolymer Micelles to Control Burst Drug Release at a Nanoscale Dimension,” Acta Biomaterialia, 24, 127 – 139 (2015).

61. K. Pal, L.N. Branco, A. Heintz, P. Choi, Q. Liu, P. R. Seidl and M. R. Gray, “Performance of Solvent Mixtures for Non-aqueous Extraction of Alberta Oil Sands,” Energy & Fuels 29 (4), 2261 – 2267 (2015).

62. A. Noorjahan and P. Choi, “Prediction of Self Diffusion Coefficients of Selected Solvents in Poly(vinyl alcohol) Using Lattice Free Volume Theory,” Polymer, 58, 53 – 59 (2015).

63. A. Noorjahan and P. Choi, “Effect of Partial Atomic Charges on the Calculated Free Energy of Solvation of Poly(vinyl alcohol) in Selected Solvents,” Journal of Molecular Modeling, 21 (3), Article 58, 1 – 10 (2015).

64. A. Noorjahan and P. Choi, “Effect of Free Volume Redistribution on the Diffusivity of Water and Benzene in Poly(vinyl alcohol),” invited for a special issue for showcasing molecular simulation work done in the field of chemical engineering, Chemical Engineering Science 121, 258 – 267 (2015).

65. T. H. Mekonnen, P. G. Mussone, P. Choi and D. C. Bressler, “Development of Proteinacious Plywood Adhesive and Optimization of its Lap Shear Strength,” Macromolecular Materials and Engineering, 300 (2), 198 – 209 (2015).

66. T. Mekonnen, P. Mussone, N. El-Thaher, P. Choi and D. Bressler, “Subcritical Hydrolysis, Biorefining, and Characterization of Waste Proteinacious Biomass for Value Added Applications,” Journal of Chemical Technology & Biotechnology, 90 (3), 476 – 483 (2015).

67. P. Choi, Q. Wang and E. Vignola, “Molecular Dynamics Study of the Conformation and Dynamics of Precisely Branched Polyethylene,” Polymer 55 (22), 5734 – 5738 (2014).

68. N. Razavilar and P. Choi, “Molecular Dynamics Study of the Diffusivity of a Hydrophobic Drug Cucurbitacin B in Pseudo Poly(ethylene oxide-b-carprolactone) Micelle Environments,” Langmuir, 30 (26), 7798 – 7803 (2014).

69. H. Nikakhtari, S. Wolf, P. Choi, Q. Liu, and M. R. Gray, “Migration of Fine Solids into Product Bitumen from Solvent Extraction of Alberta Oilsands,” Energy & Fuels, 28 (5), 2925 – 2932 (2014).

70. F. Bayati, Y. Boluk and P. Choi, “Diffusion behavior of water at infinite dilution in hydroxypropyl xylan films with sorbitol and cellulose nanocrystals,” ACS Sustainable Chemistry & Engineering, 2 (5), 1305 – 1311 (2014).

71. A. Noorjahan, X. Tan, Q. Liu, M. R. Gray and P. Choi, “Study of Cyclohexane Diffusion in Athbasca Asphaltenes,” Energy & Fuels, 28 (2), 1004 – 1011 (2014).

72. T. Mekonnen, P. Mussone, P. Choi and D. Bressler, “Adhesives from Waste Protein Biomass for Oriented Strand Board Composites: Development and Performance” Macromolecular Materials and Engineering, 299 (8), 1003 – 1012 (2014).

73. N. El-Thaher, P. Mussone, D. Bressler and P. Choi, “Kinetics Study of Curing Epoxy Resins with Hydrolyzed Proteins and the Effect of Denaturants Urea and Sodium Dodecyl Sulfate,” ACS Sustainable Chemistry & Engineering, 2 (2), 282 – 287 (2014).

74. T. Pinijmontree, P. Choi and V. Vao-soongnern, “Effect of Stereochemical Sequence on the Dynamics of Atactic Polypropylene Melt,” Macromolecular Research, 22 (2), 187 – 193 (2014).

75. N. Razavilar and P. Choi, “In-vitro Modeling of the Release Kinetics of Micron and Nano-Sized Polymer Drug Carriers,” International Journal of Drug Delivery, 5, 362 – 378 (2013).

76. T. Mekonnen, P. Mussone, N. El-Thaher, P. Choi and D. Bressler, “Thermosetting Proteinacious Bioplastics from Hydrolyzed Specified Risk Material,” Macromolecular Materials and Engineering, 298 (12), 1294 – 1303 (2013).

77. T. Mekonnen, P. Mussone, K. Alemaskin, L. Sopkow, J. Wolodko, P. Choi and D. Bressler, “Biocomposites from Hydrolyzed Waste Proteinaceous Biomass: Mechanical, Thermal and Moisture Absorption Performances,” Journal of Materials Chemistry A, 1, 13186 – 13196 (2013).

78. D. Zhou, F. Bayati and P. Choi, “On the Weak Dependence of Water Diffusivity on the Degree of Hydrophobicity of Acetylated Hydroxypropyl Xylan,” Carbohydrate Polymers, 98, 644 – 649 (2013).

79. A. Noorjahan and P. Choi, “Thermodynamic Properties of Poly(vinyl alcohol) with Different Tacticities Estimated from Molecular Dynamics Simulation,” Polymer, 54, 4212 – 4219 (2013).

80. G. Liu, J. Xiao, D. Zhou, H. Zhong, P. Choi and Z. Xu, “A DFT Study on the Structure-Reactivity Relationship of Thiophosphorus Acids as Flotation Collectors with Sulfide Minerals: Implication of Surface Adsorption,” Colloids and Surfaces A: Physicochemical and Engineering Aspects, 434, 243 – 252 (2013).

81. N. El-Thaher, T. Mekonnen, P. Mussone, D. Bressler and P. Choi, “Non-isothermal DSC Study of Epoxy Resins Cured with Hydrolyzed Specified Risk Materials,” Industrial & Engineering Chemistry Research, 52, 8189 – 8199 (2013).

82. A. A. Khajeh, K. Shankar and P. Choi, “Prediction of the Active Layer Nanomorphology in Polymer Solar Cells Using Molecular Dynamics Simulation,” Applied Materials and Interfaces, 5, 4617 – 4624 (2013).

83. T. Mekonnen, P. Mussone, N. El-Thaher, P. Choi and D. Bressler, “Recovery and Characterization of Proteinacious Material Recovered from Thermal and Alkaline Hydrolyzed Specified Risk Materials,” Process Biochemistry, 48, 885 – 892 (2013).

84. N. El-Thaher, T. Mekonnen, P. Mussone, D. Bressler and P. Choi, “Effect of Electrolytes, Water, and Temperature on Crosslinking of Glutaraldehyde and Hydrolyzed Specified Risk Materials,” Industrial & Engineering Chemistry Research, 52, 4987 – 7993 (2013).

85. H. Nikakhtari, L. Vagi, P. Choi, Q. Liu and M. R. Gray, “Solvent Screening for Non-Aqueous Extraction of Alberta Oil Sands,” Canadian Journal of Chemical Engineering, 91, 1153 – 1160 (2013).

86. X. Ni and P. Choi, “Wetting Behavior of Nano-Scale Thin Films of Selected Organic Compounds and Water on Model Basal Surfaces of Kaolinite,” Journal of Physical Chemistry C, 116, 26275 – 26283 (2012).

87. G. Liu, H. Zeng, Q. Liu, H. Zhong, P. Choi and Z. Xu, “Adsorption of Mercaptobenzoheterocyclic Compounds on Sulfide Mineral Surfaces: A Density Functional Theory Study of Structure-Reactivity Relations,” Colloids and Surfaces A: Physicochemical and Engineering Aspects, 409, 1 – 9 (2012).

88. N. El-Thaher and P. Choi, “Effect of Pre-Heating Treatment on the Measured Heats of Adsorption of Organic Solvents on Clays with Different Surface Compositions,” Industrial & Engineering Chemistry Research, 51, 7022 – 7027 (2012).

89. D. Zhou and P. Choi, “Molecular dynamics study of water diffusivity at low concentrations in non-swollen and swollen polyurethanes,” Polymer, 53, 3253 – 3260 (2012).

90. C. Huang, P. Choi and L. W. Kostiuk, “A Method for Creating a Non-Equilibrium NT(P1-P2) Ensemble in Molecular Dynamics Simulations,” Physical Chemistry Chemical Physics, 13, 20750 – 20759 (2011).

91. C. Huang, C. Li, P. Choi, K. Nandakumar and L. W. Kostiuk, “A Novel Method for Molecular Dynamics Simulation in the Isothermal-Isobaric Ensemble,” Molecular Physics, 109, 191 – 202 (2011).

92. C. Huang, P. Choi, K. Nandakumar and L. W. Kostiuk, “Effect of Cutoff Distance Used in Molecular Dynamics Simulations on Fluid Properties,” Molecular Simulation 36, 856 – 864 (2010).

93. C. Li, P. Choi and P. R. Sundararajan, “Simulation of Chain Folding in Polyethylene: a Comparison of United Atom and Explicit Hydrogen Atom Models,” Polymer, 51, 2803 – 2808 (2010).

94. C. Li, P. Choi and M. C. Williams, “Molecular Dynamics Study of the Melt Morphology of Polyethylene Chains with Different Branching Characteristics Adjacent to a Clay Surface,” Langmuir, 26, 4303 – 4310 (2010).

95. M. Wang, N. Li, Y. Zhang and P. Choi, “Study of the Intermolecular Branch Frequency Dependence of Tie-Chain Concentration in Single-Site Linear Low-Density Polyethylene Blown Films by a New FTIR Method,” (invited for a special issue in honour of Prof. Mitchell A. Winnik) Canadian Journal of Chemistry, 88, 260 – 266 (2010).

96. S. Patel, A. Lavasanifar and P. Choi, “Molecular Dynamics Study of the Encapsulation Capability of a PCL-PEO Based Block Copolymer for Hydrophobic Drugs with Different Spatial Distributions of Hydrogen Bond Donors and Acceptors,” Biomaterials, 31, 1780 – 1786 (2010).

97. S. Patel, A. Lavasanifar and P. Choi, “Prediction of the Solubility of Cucurbitacin Drugs in Self Associating Poly(ethylene oxide)-b-poly(α-benzyl carboxylate -caprolactone) Block Copolymer with Different Tacticities Using Molecular Dynamics Simulation,” Biomaterials, 31, 345 – 357 (2010).

98. S. Patel, A. Lavasanifar and P. Choi, “Roles of Non-polar and Polar Intermolecular Interactions in the Improvement of the Drug Loading Capacity of PEO-b-PCL with Increasing PCL Content for two Hydrophobic Cucurbitacin Drugs,” Biomacromolecules, 10, 2584 – 2591 (2009).

99. A. Mahmud, S. Patel, O. Molavi, P. Choi, J. Samuel and A. Lavasanifar, “Self Associating Poly(ethylene oxide)-b-poly(-cholestrylcarboxylate--caprolactone) Block Copolymers for the Solubilization of STAT-3 Inhibitor Cucurbitacin I,” Biomacromolecules, 10, 471 – 478 (2009).

100. C. Huang, P. Choi, K. Nandakumar and L. W. Kostiuk, “Study of Solid-Liquid Interaction on Pressure-Driven Liquid Transport through a Nanopore in a Membrane,” Journal of Nanoscience and Nanotechnology, 9, 793 – 798 (2009).

101. A. Kapoor and P. Choi, “Asymptotic flow profiles for incompressible flows with a periodic pressure gradient,” Journal of Applied Physics, 104, 084701 (2008).

102. S. Patel, A. Lavasanifar and P. Choi, “Application of Molecular Dynamics Simulation to Predict the Compatibility between Water Insoluble Drugs and Self Associating Poly(ethylene oxide)-b-Poly(-caprolactone) Block Copolymer,” Biomacromolecules, 9, 3014 – 3023 (2008).

103. C. Li and P. Choi, “Molecular Dynamics Study of Solid-State Structures of Linear Low-Density Polyethylenes with Blocky Branches,” Macromolecules, 41, 7109 – 7114 (2008).

104. Y. Zhang, S. Y. Zhang and P. Choi, “Effects of Wood Fiber Content and Coupling Agent Content on Mechanical Properties of Wood Fiber Polyethylene Composites,” European Journal of Wood and Wood Products, 66, 267 – 274 (2008).

105. C. Li and P. Choi, “Molecular Dynamics Simulation Study of the Effect of Solvent Adsorption on Glycothermally Produced -Alumina Particle Morphology,” Journal of Physical Chemistry C, 112, 10145 – 10152 (2008).

106. C. Huang, P. Choi, K. Nandakumar and L. W. Kostiuk, “Investigation of entrance and exit effects on liquid transport through a cylindrical nanopore,” Physical Chemistry Chemical Physics, 10, 186 – 192 (2007).

107. Q. F. An, J. W. Qian, M. Wang, Y. Lu and P. Choi, “Relation between the Permeability and the Degree of Coil Overlap of Polymer in the Bulk State,” Chinese Chemical Letters, 18, 1423 – 1426 (2007).

108. X. Chen, R. Ozisik, S. K. Kumar and P. Choi “Influence of Stereoerrors on the Formation of Helices during Early Stage Crystallization of Isotactic Polypropylene,” Journal of Polymer Science: Part B Polymer Physics, 45, 3349 – 3360 (2007).

109. C. Li, Z. Li and P. Choi, “Stability of Water/Toluene Interfaces Saturated with Adsorbed Naphthenic Acids – A Molecular Dynamics Study,” Chemical Engineering Science, 62, 6709 – 6715 (2007).

110. S. Y. Zhang, Y. Zhang, M. Bousmina, M. Sain and P. Choi, “Effects of Raw Fiber Materials, Fiber Content and Coupling Agent Content on Selected Properties of Polyethylene/Wood Fiber Composites,” Polymer Engineering and Science, 47, 1678 – 1687 (2007).

111. M. Wang, G. M. Bernard, R. E. Wasylishen and P. Choi, “A Solid-State 13C NMR Investigation of the Morphology of Single-Site and Ziegler-Natta Linear Low-Density Polyethylenes with Varying Branch Contents,” Macromolecules, 40, 6594 – 6599 (2007).

112. C. Huang, P. Choi, K. Nandakumar and L. W. Kostiuk, “Comparative Study between Continuum and Atomistic Approaches of Liquid Flow through a Finite Length Cylindrical Nanopore,” Journal of Chemical Physics, 126, 224702 – 224713 (2007).

113. C. Li and P. Choi, “A Molecular Dynamics Study of the Adsorption Behavior of Normal Alkanes on a Relaxed α-Al2O3 (0001) Surface,” Journal of Physical Chemistry C, 111, 1747 – 1753 (2007).

114. M. Zhang, F. Yuen and P. Choi, “Differences in the Solid-State Structures of Single-Site and Ziegler-Natta Linear Low-Density Polyethylenes as Revealed by Molecular Dynamics Simulation,” Macromolecules, 39, 8517 – 8525 (2006).

115. P. Choi, “Molecular Modelling – An Enabling Technology for Chemical Engineers,” Canadian Journal of Chemical Engineering, 84, 265 – 268 (2006).

116. C. Huang, K. Nandakumar, P. Choi and L. W. Kostiuk, “Molecular Dynamics Simulation of a Pressure-Driven Liquid Transport Process in a Cylindrical Nanopore Using Two Self-Adjusting Plates,” Journal of Chemical Physics, 124, 1 – 8 (2006).

117. P. Choi, S. S. Rane and W. L. Mattice, “Effect of Pressure on the Miscibility of Polyethylene/Ethylene Propylene Copolymer Blends,” Macromolecular Theory and Simulations, 15, 563 – 572 (2006).

118. C. Li and P. Choi, “Application of a Novel Molecular Dynamics Simulation Approach for the Estimation of Surface Tensions of Normal Alkanes and Methyl Methacrylate Oligomers,” Journal of Physical Chemistry B, 110, 6864 – 6870 (2005).

119. Z. Li, B. Cranston, L. Zhao and P. Choi, “Molecular Dynamics Studies of the Stability of Water/n-Heptane Interfaces with Adsorbed Naphthenic Acids,” Journal of Physical Chemistry B, 109, 20929 – 20937 (2005).

120. L. Zhao and P. Choi, “A Review on the Miscibility of Polyethylene Blends,” (invited for a special issue of polymer blends and composites) Materials and Manufacturing Process, 21, 135 – 142 (2005).

121. Z. Liu, M. Zhang, L. Zhao and P. Choi, “Molecular Origin of the Anomalous Thermodynamic Behaviour of Single Site Linear Low-Density Polyethylene Liquids with Different Branch Contents,” Macromolecules, 38, 4512 – 4520 (2005).

122. S. S. Rane and P. Choi, “Thermodynamic Analysis of the Inequality of the Cohesive Energy Density and Internal Pressure of Polymers,” Polymer Engineering and Science, 45, 798 – 800 (2005).

123. S. S. Rane and P. Choi, “Polydispersity Index: How Accurately Does it Measure the Breadth of the Molecular Weight Distribution?” Chemistry of Materials, 17, 926 (2005).

124. S. S. Rane, W. L. Mattice and P. Choi, “Calculation of the Pressure Using the Virtual-Volume-Variation Method and the Virial Method from Chain Conformations Obtained by Monte Carlo Simulations on the Second Nearest Neighbor Diamond Lattice,” Journal of Chemical Physics, 121, 10674 – 10679 (2004); selected for Virtual Journal of Biological Physics Research, 8 (10) (2004).

125. P. Choi and W. L. Mattice, “Molecular Origin of Demixing, Prior to Crystallization, of Atactic Polypropylene/Isotactic Polypropylene Blends upon Cooling from the Melt,” Journal of Chemical Physics, 121, 8647 – 8651 (2004).

126. L. Zhao, L. Capt, M. Kamal and P. Choi, “On the Use of Pressure-Volume-Temperature Data of Polyethylene Liquids for the Determination of their Solubility and Interaction Parameters,” Polymer Engineering and Science, 44, 853 – 860 (2004).

127. L. Zhao and P. Choi, “Molecular Dynamics Simulation of the Coalescence of Nanometer-Sized Water Droplets in n-Heptane,” Journal of Chemical Physics, 120, 1935 – 1942 (2004); selected for Virtual Journal of Nanoscale Science & Technology, 9 (5) (2004).

128. L. Zhao and P. Choi, “Study of the Effect of Branch Content of Octene-based LLDPE on its Miscibility with HDPE by Inverse Gas Chromatography,” Journal of Applied Polymer Science, 91, 1927 – 1931 (2004).

129. L. Zhao and P. Choi, “Differences between Ziegler-Natta and Single Site Linear Low-Density Polyethylenes as Characterized by Inverse Gas Chromatography,” (Feature Article) Macromolecular Rapid Communications, 25, 535 – 541 (2004).

130. L. Zhao and P. Choi, “Study of the Correctness of the Solubility Parameters Obtained from Indirect Methods by Molecular Dynamics Simulation,” (invited for a special issue of molecular modelling of polymers) Polymer, 45, 1349 – 1356, (2004).

131. M. Zhang, P. Choi and U. Sundararaj, “Molecular Dynamics and Thermal Analysis Study of Anomalous Thermodynamic Behavior of Poly(ether imide)/Polycarbonate Blends,” Polymer, 44, 1979 – 1986 (2003).

132. L. Zhao and P. Choi, “Measurement of Solvent Independent Polymer-Polymer Flory-Huggins Interaction Parameters with the Use of Non-random Partitioning Solvents in Inverse Gas Chromatography,” Polymer, 43, 6677 – 6681 (2002).

133. X. Kong, M. Silveira, L. Zhao and P. Choi, “A Pseudo Equation-of-State Approach for the Estimation of Solubility Parameters of Polyethylene by Inverse Gas Chromatography,” Macromolecules, 35, 8586 – 8590 (2002).

134. P. Choi, “A Re-examination of the Concept of Hildebrand Solubility Parameter for Polymers,” Macromolecular Rapid Communications, 23, 484 – 487 (2002).

135. J. Z. Fan, M. C. Williams, and P. Choi, “A Molecular Dynamics Study of Branching Characteristics of LDPE on its Miscibility with HDPE,” Polymer, 43, 1497 – 1502 (2002).

136. M. Doran and P. Choi, “Molecular Dynamics Studies of the Branching Characteristics on Crystalline Structure of Polyethylene,” Journal of Chemical Physics, 115, 2827 – 2830 (2001).

137. L. Zhao and P. Choi, “Determination of Solvent Independent Polymer-Polymer Interaction Parameter by an Improved Inverse Gas Chromatographic Approach,” Polymer, 42, 1075 – 1081 (2001).

138. P. Choi, “Molecular Dynamics Studies of the Effects of Branch Content of LLDPE on the Thermodynamics of HDPE/Butene-Based LLDPE Blends,” Polymer, 41, 8741 – 8747 (2000).

139. P. Choi, T. A. Kavassalis, and A. Rudin, “Measurement of Three-Dimensional Solubility Parameters of Nonyl Phenol Ethoxylates Using Inverse Gas Chromatography,” Journal of Colloid & Interface Science, 180, 1 – 8 (1996).

140. P. Choi, H. Blom, T. A. Kavassalis, and A. Rudin, “The Immiscibility of Polyethylene and Polypropylene: A Molecular Dynamics Study,” Macromolecules, 28, 8247 – 8250 (1995).

141. G. T. D. Shouldice, P. Choi, B. E. Koene, L. F. Nazar and A. Rudin, “A Novel Way to Study the Initial Stages of Soap-Free Emulsion Polymerizations: The Intercalation of Polystyrene Oligomers into Hydrotalcite,” Journal of Polymer Science Part A: Polymer Chemistry, 33, 1409 – 1417 (1995).

142. P. Choi, T. A. Kavassalis and A. Rudin, “Estimation of Hansen Solubility Parameters for Hydroxylethyl and Hydroxylpropyl Cellulose through Molecular Simulation,” Industrial & Engineering Chemistry Research, 33, 3154 – 3159 (1994).

143. T. A. Kavassalis, P. Choi and A. Rudin, “The Calculation of 3D Solubility Parameters Using Molecular Models,” Molecular Simulation, 11, 229 – 241 (1993).

144. P. Choi, T. A. Kavassalis and A. Rudin, “Estimation of Three Dimensional Solubility Parameters of Alkyl Phenol Ethoxylates Using Molecular Dynamics Simulations,” Journal of Colloid & Interface Science, 150, 386 – 393 (1992).

145. P. Choi, M. Lynch, A. Rudin, J. W. Teh and J. Batiste, “DSC Analysis of Fusion Level of Rigid PVC Revisited: Filler Effects on Thermal Analysis Data,” Journal of Vinyl Technology, 14, 156 – 160 (1992).

146. J. Batiste, P. Choi, M. Lynch, A. Rudin and L. H. De Carvalho, “Effects of Compounding and Extrusion Variables on Degree of Fusion and Impact Strength of PVC Window Profile,” Journal of Vinyl Technology, 14, 43 – 46 (1992).