# Publications

### Journal Publications

Liu, F.F. and K.B. McAuley, "Improved Kinetic Rate Constants for Nylon 6, Nylon 6,6 and Nylon 6/6,6 Copolymer", *Macromolecular Reaction Engineering*, accepted, 2019.

Cheng, X.P., L.F. Feng, X.P. Gu, X. Chen, Z.G. Liu and K.B. McAuley, "Modeling of Sequence Length Distribution for Olefin Copolymerization with Vanadium-Based Catalyst", *AIChE Journal*, accepted, 2019.

Ho, C., K.B. McAuley and B.A. Peppley, "Biolubricants through Renewable Hydrocarbons: A Perspective for New Opportunities", *Renewable & Sustainable Energy Reviews*, **113**, paper 109261, 2019.

Shahmohammadi, A. and K.B. McAuley, "Sequential Model-Based A- and V-Optimal Design of Experiments for Building Fundamental Models of Pharmaceutical Production Processes", *Computers and Chemical Engineering*, accepted, 2019.

Karimi, H., B. Olayiwola, H. Farag and K.B. McAuley, "Modeling Coke Formation in an Industrial Ethane-Cracking Furnace for Ethylene Production", *Canadian Journal of Chemical Engineering*, accepted, 2019.

Liu, F.F., E.K. Marchildon and K.B. McAuley, "Modeling Equilibrium Behaviour of Nylon 6, Nylon 6,6 and Nylon 6/6,6 Copolymer", *Macromolecular Reaction Engineering*, **13**, paper 201800078, 2019.

Zhuang, Y., R. Currie, K.B. McAuley and D. Simakov, "Highly-Selective CO2 Conversion via Water Gas Shift Reaction over the 0.5 wt% Ru-Promoted Cu/ZnO/Al2O3 Catalyst", *Applied Catalysis A, General*, **575**, 74-86, 2019.

Shahmohammadi, A. and K.B. McAuley, "Sequential Model-Based A-Optimal Design of Experiments when the Fisher Information Matrix is Noninvertible", *I**ndustrial & Engineering Chemistry Research*, **58**, 1244-1261, 2019**. **

Karimi, H. and K.B. McAuley, "Bayesian Objective Functions for Estimating Parameters in Nonlinear Stochastic Differential Equation Models with Limited Data", *Industrial & Engineering Chemistry Research*, **57**, 8946-8961, 2018.

Zhao, Y.R., J.E. Puskas and K.B. McAuley, "A Simple Monte Carlo Method for Modeling Arborescent Polymer Production in Continuous Stirred Tank Reactor", *Macromolecular Reaction Engineering*, **12**, 18000020, 2018.

Buren, B.D., Y.R. Zhao, J.E. Puskas and K.B. McAuley, "Predicting Average Molecular Weights and Branching Level for Self-Condensing Vinyl Copolymerization in a CSTR", *Macromolecular Reaction Engineering*, **12**, 1700074, 2018.

Kryven, I., Y.R. Zhao, K.B. McAuley and P.D. Iedema, "A Determinsitic Model for Positional Gradients in Copolymers", *Chemical Engineering Science*, **177**, 491-500, 2018.

Liu, F.F., J.M. Hurley, N.P. Khare and K.B. McAuley, "Mathematical Modeling of Nylon 6/6,6 Copolymerization in Batch Reactor: Investigating Recipes without Water and with Cyclic Dimer", *Macromolecular Reaction Engineering*, **12**, 1700040, 2018.

Karimi, H., E.V. Cowperthwaite, B. Olayiwola, H. Farag and K.B. McAuley, "Modeling of Heat Transfer and Pyrolysis Reactions in an Industrial Ethylene Cracking Furnace", *Canadian Journal of Chemical Engineering*, **96**, 33-48, 2018.

Xie, J.C., E.A.B. Katz, K.M. Alexander, L.J. Schreiner and K.B. McAuley, "Leuco-crystal-violet micelle gel dosimeters: Component effects on dose-rate dependence", *Journal of Physics: Conf. Ser.*, **847**, article 012041, 2017.

Liu, F.F., J.M. Hurley, N.P. Khare and K.B. McAuley, "Mathematical Modeling of Nylon 6/6,6 Copolymerization: Beneficial Influence of Comonomers on Degree of Polymerization in Batch Reactors", *Macromolecular Reaction Engineering*, **11**, 1700002, 2017.

Zhao, Y.R., D.J. Arriola, J.E. Puskas and K.B. McAuley, "Applying Multi-Dimensional Method of Moments for Modeling and Estimating Parameters for Arborescent Polyisobutylene Production in Batch Reactor", *Macromolecular Theory & Simulation*, **26**, 1600004, 2017 .

Zhao, Y., D. Latham, B.A. Peppley, K.B. McAuley, H. Wang and R. Lehoux, "Simulation of Dry Reforming of Methane in a Conventional Downfired Reformer", *AIChE J*. , **63**, 2060-2071, 2017.

Hajar, Y., K.B. McAuley and F. Zeman, "Sulfur as a Fuel Source in a Combined PowerCycle Equipped with Dry Flue Gas Desulfurization System", *Energy & Fuels*, **30**, 8511-8519, 2016.

Li, X.L., H. Karimi, P.J. McLellan, K.B. McAuley and C. Jeffrey, "Mathematical Model for a Point-of-Care Sensor for Measuring Carbon Dioxide in Blood", *Sensors & Actuators: B. Chemical*, **236**, 635-645, 2016.

Eghtesadi, Z. and K.B. McAuley, "Mean-Squared-Error-Based Method for Parameter Ranking and Selection with Non-Invertible Fisher Information Matrix", *AIChE Journal*, **62**, 1112-1125, 2016.

Zhao, Y.R., P.D. Iedema, J.E. Puskas and K.B. McAuley, "Advanced Monte Carlo Modeling Using Weight-Based Selection of Arborescent Polyisobutylene Molecules in a a Batch Reactor", *Macromolecular Theory & Simulation, ***25***, *134-154,* *2016.

Nasr, A.T., K.M. Alexander, L.J. Schreiner and K. B. McAuley, "Leuco-Crystal-Violet Micelle Gel Dosimeters I. Influence of Recipe Components and Potential Sensitizers", *Physics in Medicine and Biology*, **60**, 4665-4683, 2015.

Nasr, A.T., K.M. Alexander, T. Olding, L.J. Schreiner and K. B. McAuley, "Leuco-Crystal-Violet Micelle Gel Dosimeters II. Recipe Optimization and Testing", *Physics in Medicine and Biology*, **60**, 4685-4704, 2015.

Cui, W.J., K.B. McAuley, R.E. Spence and T. Xie, "Mathemematical Modeling of Polyether Production from 1,3-Propanediol: Accounting for Linear Oligomers", *Macromol. React. Eng*., **9, **186-204, 2015.

Nasr, A.T., K.M. Alexander, L.J. Schreiner and K.B. McAuley, "Opportunities for improving the performance of LCV micelle gel dosimeters: 1. Preliminary Investigation", *J. Phys.: Conf. Ser.* **573,** article 0102037, 2015.

Nasr, A.T., K.M. Alexander, T. Olding, L.J. Schreiner and K.B. McAuley, "Opportunities for improving the performance of LCV micelle gel dosimeters: 2. Recipe Optimization", *J. Phys.: Conf. Ser.* **573**, article 012039, 2015.

Zhao, Y.R., K.B. Mcauley and J.E. Puskas, "Parallel Models for Arborescent Polyisobutylene Synthesized in Batch Reactor", *AIChE Journal *** 61**, 253-265, 2015.

Karimi, H. and K.B. McAuley, "A Maximum-Likelihood Method for Estimating Parameters, Stochastic Disturbance Intensities and Measurement Noise Variances in Nonlinear Dynamic Models with Process Disturbances," *Computers & Chemical Engineering* **67**, 178-198, 2014.

Eghtesadi, Z. and K.B. McAuley, "Mean Square-Errorr Based Method for Parameter Ranking and Selection to Obtain Accurate Predictions at Specified Operating Conditions," *Ind. Eng. Chem. Res.* **53**, 6033-6046, 2014.

Zhao, Y.R., P.D. Iedema, J.E. Puskas and K.B. McAuley, "Advanced Monte Carlo Model for Arborescent Polyisobutylene Production in Batch Reactor," *Macromolecular Theory and Simulations ***23**, 383-400, 2014.

Francoeur A.J.B., H. Karimi, L. D'Agnillo and K.B. McAuley , "A Model for the Devolatilization of EPDM Rubber in a Series of Steam Stripping Vessels," *AIChE Journal ***60**, 2596-2606, 2014.

Cui, W.J., K.B. McAuley, R.E. Spence and T. Xie, "Assessment of Mass-Transfer Effects during Polyether Production from 1,3-Propanediol," *Macromolecular Reaction Engineering* **8**, 476-492, 2014.

Karimi H. and K.B. McAuley, "An Approximate Expectation Maximization Algorithm for Estimating Parameters in Nonlinear Dynamic Models with Process Disturbances," *Canadian Journal of Chemical Engineering* **92**, 835-850, 2014.

Karimi, H. and K.B. McAuley , "An Approximate Expectation Maximization Algorithm for Estimating Parameters, Noise Variances and Stochastic Disturbance Intensities in Nonlinear Dynamic Models," *Industrial and Engineering Chemistry Research* **52**, 18303-18823, 2013.

McAuley, K.B. and A.T. Nasr, "Fundamentals of Gel Dosimeters," *Journal of Physics: Conf. Ser.* **444**, article 012001, 2013.

Nasr, A., T. Olding, L.J. Schreiner and K.B. McAuley, "Preliminary evaluation of diacetylene-based 3D micelle gel dosimeters,"*Journal of Physics: Conf. Ser.* **444**, article 012041, 2013.

Zhao, Y.R., K.B. McAuley and J.E. Puskas, "Monte Carlo Model for Arborescent Polyisobutylene Production in Batch Reactor,"*Macromolecular Theory & Simulation* **22**, 365-376, 2013.

Woloszyn, J.D., P. Hesse, K.D. Hungenberg and K.B. McAuley, "Parameter Selection and Estimation Techniques in a Styrene Polymerization Model," *Macromolecular Reaction Engineering* **7**, 293-310, 2013.

Eghtesadi, Z., S. Wu and K.B. McAuley, "Development of a Model Selection Criterion for Accurate Model Predictions at Desired Operating Conditions," *Industrial & Engineering Chemistry Research* **52**, 12297-12308, 2013.

Nasr, A.T., T. Olding, L.J. Schreiner and K.B. McAuley, "Evaluation of the potential for diacetylenese as reporter molecules in 3D micelle gel dosimetry," *Physics in Medicine and Biology* **58**, 785-805, 2013.

Cui, W.J., K.B. McAuley, R.A. Whitney, R.E. Spence and T. Xie, "Mathematical Model of Polyether Production from 1,3-Propanediol," *Macromolecular Reaction Engineering* **7**, 237-253, 2013.

Zhao, Y.R., K.B. McAuley, J.E. Puskas, L.M. Dos Santos and A. Alvarez, "Mathematical Modeling of Arborescent Polyisobutylene Production in Batch Reactors," *Macromolecular Theory & Simulations* **22**, 155-173, 2013.

Shenoy, A.V., J. Prakash, V. Prasad, S.L. Shah and K.B. McAuley, "Practical issues in state estimation using particle filters: case studies with polymer reactors," *Journal of Process Control* **23**, 120-131, 2013.

McLean, K.A.P., S. Wu and K.B. McAuley, "Mean-Squared-Error Methods for Selecting Optimal Parameter Subsets for Estimation,"*Industrial & Engineering Chemistry Research* **51**, 6105-6115, 2012.

Campbell, D.A., G. Hooker and K.B. McAuley, "Parameter Estimation in Differential Equation Models with Constrained States,"*Journal of Chemometrics* **26**, 322-332, 2012.

Karimi, H., M.A. Schaffer and K.B. McAuley, "Kinetic Moded for Non-Oxidative Thermal Degradation of Nylon 66," *Macromolecular Reaction Engineering* **6**, 93-109, 2012.

Nasr, A.T., L. J. Schreiner and K. B. McAuley, "Mathematical modelling of the response of polymer gel dosimeters to HDR and LDR brachytherapy radiation," *Macromolecular Theory & Simulations* **21**, 36-51, 2012.

McLean K. A. P. and K. B. McAuley, "Mathematical Modelling of Chemical Processes – Obtaining the Best Model Predictions and Parameter Estimates using Identifiability and Estimability Procedures," *Canadian Journal of Chemical Engineering* **90**, 351-366, 2012.

Chain, J.M.N., A. T. Nasr, L. J. Schreiner and K. B. McAuley, "Mathematical Modeling of Depth-Dose Response of Polymer Gel Dosimeters," *Macromolecular Theory & Simulations* **20**, 735-751, 2011.

Woloszyn, J.D. and K.B. McAuley, "Application of Parameter Selection and Estimation Techniques in a Thermal Styrene Polymerization Model," *Macromolecular Reaction Engineering* **5**, 453-466, 2011.

Wu, S., K.A.P. McLean, T.J. Harris and K.B. McAuley, "Selection of Optimal Parameter Set using Estimability Analysis and MSE-Based Model Selection Criterion," *International Journal of Advanced Mechantronic Systems* **3**, 3, 188-197, 2011.

Latham, D.A., K.B. McAuley, B.A. Peppley and T.M. Raybold, "Mathematical Modeling of an Industrial Steam-Methane Reformer for On-line Deployment," *Fuel Processing Technology* **92**, 1574-1586, 2011.

Chain, J.N.M., A Jirasek, L. J. Schreiner and K. B. McAuley, "Cosolvent-free polymer gel dosimeters with improved dose sensitivity and resolution for x-ray CT dose response," *Physics in Medicine and Biology* **56**, 2091-2102, 2011.

Snyder, S.L., K.B. McAuley, P.J. McLellan, E.B. Brouwer and T. McCaw, "Modeling the thermal stability of enzyme-based in vitro diagnostics biosensors," *Sensors & Actuators: B. Chemical* **156**, 621-630, 2011.

Olding, T., O. Holmes, P. DeJean, K.B. McAuley, K. Nkongchu, G. Santyr and L. J. Schreiner, "Small field dose delivery evaluations using cone beam optical computed tomography-based polymer gel dosimetry," *Journal of Medical Physics* **36**, 1, 3-14, 2011.

Wu, S., K.B. McAuley and T. J. Harris, "Selection of Simplified Models: II. Development of a Model Selection Criterion Based on Mean-Squared Error," *Canadian Journal of Chemical Engineering* **89**, 325-336, 2011.

Wu, S., K. B. McAuley and T. J. Harris, "Selection of Simplified Models: 1. Analysis of Model Selection Criteria Using Mean-Squared Error," *Canadian Journal of Chemical Engineering* **1**, 148-158, 2011.

Nasr, A. T., J. N. M. Chain, L. J. Schreiner and K. B. McAuley, "Mathematical modelling of response of polymer gel dosimeters to brachytherapy radiation," *Journal of Physics: Conference Series* **250**, article 012066, 2010.

Schreiner, L. J., T. Olding and K. B. McAuley, "Polymer Gel Dosimetry," *Journal of Physics: Conference Series* **250**, article 012014, 2010.

Jirasek, A., M. Hilts and K. McAuley, "Isopropanol-Based Polymer Gel Dosimeters for Use with X-Ray CT Imaging," *Journal of Physics: Conference Series* **250**, article 012072, 2010.

Chain, J. N. M., L., J. Schreiner and K. B. McAuley, "Mathematical Modelling of Depth-Dose Response of Polymer Gel Dosimeters,"*Journal of Physics: Conference Series* **250**, article 012065, 2010.

Jirasek, A., M. Hilts and K. B. McAuley , "Enhanced-sensitivity x-ray CT polymer gel dosimetry," *Physics in Medicine and Biology ***55**, 5269-5281, 2010.

Hayashi, S., M. Munenori, K., Haneda, T. Kondo, K. B. McAuley and T. Tominaga, "A study of the role of gelatin in methacrylic-acid-based gel dosimeters ," *Radiation Physics and Chemistry* **79**, 7, 803-808, 2010.

Baldock, C, Y. De Deene, S. Doran, G. Ibbott, A. Jirasek, M. Lepage, K.B. McAuley, M. Oldham and L.J. Schreiner, "Polymer Gel Dosimetry," *Physics in Medicine and Biology* **55**, 5, R1-R63, 2010.

Littlejohns J., K. B. McAuley and A. J. Daugulis, "Model for a Solid-Liquid Stirred Tank Two-Phase Partitioning Bioscrubber for the Treatment of BTEX," *Journal of Hazardous Materials* **175**, 872-882, 2010.

Littlejohns J., K. B. McAuley and A. J. Daugulis, "Model for a Solid-Liquid Airlift Two-Phase Partitioning Bioscrubber for the Treatment of BTEX," *Journal of Chemical Technology & Biotechnology* **85**, 2, 173-184, 2010.

Thompson, D. E., K. B. McAuley and P. J. McLellan, "Design of Optimal Sequential Experiments to Improve Model Predictions from a Polyethylene Molecular Weight Distribution Model," *Macromolecular Reaction Engineering* **4**, 73-85, 2010.

Koeva, V. I., S. Daneshvar, R. J. Senden, A. H. M. Imam, L. J. Schreiner and K. B. McAuley, "Mathematical Modeling of PAG and NIPAM-Based Polymer Gel Dosimeters Contaminated by Oxygen and Inhibitor," *Macromolecular Theory and Simulation* **18**, 495-510, 2009.

Koeva, V. I., K. B. McAuley A. Jirasek and L. J. Schreiner, "Preliminary investigation of the NMR, optical and x-ray CT dose response of polymer gel dosimeters with cosolvents and increased crosslinker levels," *J. Phys. Conf. Ser.* **164**, article 012017, 2009.

Jirasek, A., K. B. McAuley and M. Lepage, "How does the Chemistry of Polymer Gel Dosimeters affect their Performance," *J. Phys. Conf. Ser.* **164**, article 012003, 2009.

Koeva, V. I., T. Olding, A. Jirasek, L. J. Schreiner and K. B. McAuley, "Preliminary investigation of the NMR, optical and x-ray CT dose response of polymer gel dosimeters incorporating cosolvents to improve dose sensitivity," *Physics in Medicine and Biology***54**, 2779-2790, 2009.

Thompson, D. E., K. B. McAuley and P. J. McLellan, "Parameter Estimation in a Simplified Molecular Weight Distribution Model for HDPE Produced by Ziegler-Natta Catalyst," *Macromolecular Reaction Engineering* **3**, 160-177, 2009.

Jirasek, A., M. Hilts, A. Berman and K. B. McAuley, "Effects of glycerol co-solvent on the rate and form of polymer gel dose response," *Phys. Med. Biol.* **54**, 907-918, 2009.

Varziri, M.S., K. B. McAuley and P. J. McLellan, "Approximate Maximum Likelihood Parameter Estimation for Nonlinear Dynamic Models: Application to a Lab-Scale Nylon Reactor Model," *Industrial and Engineering Chemistry Research* **47**, 19, 7274-7283, 2008.

Varziri, M.S., K.B. McAuley and P.J. McLellan, "Parameter and State Estimation in Nonlinear Stochastic Continuous-Time Dynamic Models with Unknown Disturbance Intensity," *Canadian Journal of Chemical Engineering* **86**, 5, 828-837, 2008.

Varziri, M.S., A.A. Poyton, K.B. McAuley, P.J. McLellan and J.O. Ramsay, "Selecting Optimal Weighting Factors in iPDA for Parameter Estimation in Continuous-Time Dynamic Models," *Computers and Chemical Engineering* **32**, 3011-3022, 2008.

Koeva, V.I., E. S. Csaszar, R. J. Senden, K. B. McAuley and L. J. Schreiner, "Polymer Gel Dosimeters with Increased Solubility: A Preliminary Investigation of the NMR and Optical Dose-Response Using Different Crosslinkers and Co-Solvents," *Macromolecular Symposia* **261**, 157-166, 2008.

Varziri, M. S., K. B. McAuley and P. J. McLellan , "Parameter Estimation in Continuous-Time Dynamic Models in the Presence of Unmeasured States and Non-Stationary Disturbances," *Industrial and Engineering Chemistry Research* **47**, 380-393, 2008.

Schaffer, M. A., K. B. McAuley, E. K. Marchildon and M. F. Cunningham, "Thermal Degradation Kinetics of Nylon 66: Experimental Study and Comparison with Model Predictions," *Macromolecular Reaction Engineering* **1**, 563-577, 2007.

Karlsson, A., H. Gustavsson, S. Mansson, K. B. McAuley and S. A. J. Back, "Dose Integration Characteristics in Normoxic Polymer Gel Dosimetry Investigated using Sequential Beam Irradiation," *Phyics in Medicine and Biology* **52**, 4697-4706, 2007.

Thompson, D.E., K. B. McAuley and P. J. McLellan, "Simplified Model for Prediction of Molecular Weight Distributions in Ethylene-Hexene Copolymerization Using Ziegler-Natta Catalysts," *Macromolecular Reaction Engineering* **1**, 523-536, 2007.

Puskas, J.E., S.W.P. Chan, K.B. McAuley, G. Kaszas and S. Shaikh, "Living Carbocationic Copolymerization of Isobutylene with Styrene," *Journal of Polymer Science: Part A: Polymer Chemistry* **45**, 1778-1787, 2007.

Wu, S., T. J. Harris and K. B. McAuley, "The Use of Simplified and Misspecified Models: Linear Case," *Canadian Journal of Chemical Engineering* **85**, 386-398, 2007.

Thompson, D. E., K. B. McAuley and P. J. McLellan, "Exploring Reaction Kinetics of a Multi-Site Ziegler-Natta Catalyst Using Deconvolution of Molecular Weight Distributions for Ethylene-Hexene Copolymers," *Macromolecular Reaction Engineering* **1**, 264-274, 2007.

Zheng, W., K. B. McAuley, E. K. Marchildon and K. Z. Yao, "Melt-Phase Nylon 612 Polycondensation Kinetics: Effects of Sodium Hypophosphite Catalyst," *Canadian Journal of Chemical Engineering* **85**, 180-187, 2007.

Puskas, J. E., P. Chan, K. B. McAuley, G. Kaszas, S. Shaikh, "Fundamental Aspects of Measuring Copolymerization Reactivity Ratios using Real-Time FTIR," *Macromolecular Symposia* **243**, 46-52, 2006.

De Jean, P., R. J. Senden, K. B. McAuley, M. Rogers and RL. J. Schreiner, "Initial experience with a commercial cone beam optical CT unit for polymer gel dosimetry II. Clinical potential," *J. Phys: Conf. Ser.* **56**, 183-186, 2006.

De Jean, P., R. J. Senden, K. B. McAuley, and L. J. Schreiner, "Initial experience with a commercial cone beam optical CT unit for polymer gel dosimetry I: Optical dosimetry issues," *J. Phys.: Conf. Ser.* **56**, 179-182, 2006.

Senden, R. J., P. De Jean, K. B. McAuley and L. J. Schreiner, "Polymer Gel Dosimeters with Reduced Toxicity," *J. Phys.: Conf. Ser.***56**, 156-159, 2006.

McAuley, K. B., "Fundamentals of Polymer Gel Dosimeters," *J. Phys.: Conf. Ser.* **56**, 35-44, 2006.

Puskas, J. E., P. Chan, K. B. McAuley, G. Kaszas and S. Shaikh, "Real-Time FTIR Monitoring of the Carbocationic Copolymerization of Isobutylene with Styrene," *Macromolecular Symposia* **240**, 18-22, 2006.

Sun, L., P. H. Oosthuizen and K. B. McAuley, K. B.,, "A Numerical Study of Pressure Variation and Flow Cross-Over through Gas Diffusion Layer in PEMFC Flow Plate Using Serpentine Channel with Trapezoidal Cross-Section," *Computational Fluid Dynamics Journal* **15**, 159-166. 2006.

Senden, R. J., P. De Jean, K. B. McAuley and L. J. Schreiner, "Polymer gel dosimeters with reduced toxicity: a preliminary investigation of the NMR and optical dose-response using different monomers," *Physics in Medicine and Biology* **51**, 3301-3314, 2006.

Ben-Zvi, A., P. J. McLellan and K. B. McAuley, "Identifiability of Nonlinear Differential Algebraic Systems via a Linearization Approach," *Canadian Journal of Chemical Engineering* **84**, 590-596, 2006.

Sun, L., P. H. Oosthuizen and K. B. McAuley, "A Numerical Study of Channel-to-Channel Flow Cross-Over Through Gas Diffusion Layer in a PEM Fuel Cell Flow System using a Serpentine Channel with a Trapezoidal Cross-Sectional Shape," *International Journal of Thermal Sciences* **45**, 1021-1026, 2006.

Poyton, A., M. S. Varziri, K. B. McAuley, P. J. McLellan and J. O. Ramsay, "Parameter Estimation in Continuous-Time Dynamic Models Using Principal Differential Analysis," *Comput. Chem. Eng.* **30**, 698-708, 2006.

Oosthuizen, P. H., L. Sun and K. B. McAuley, "The Effect of Channel-to-Channel Gas Crossover on the Pressure and Temperature Distribution in PEM Fuel Cell Flow Plates," *Applied Thermal Engineering* **25**, 1083-1096, 2005.

Fuxman, A. M., K. B. McAuley and L. J. Schreiner, "Modelling of Polyacrylamide Gel Dosimeters with Spatially Non-Uniform Radiation Dose Distributions," *Chem. Eng. Sci.* **60**, 1277-1293, 2005.

Kou, B., K. B. McAuley, C. C. Hsu, D. W. Bacon and K. Z. Yao, "Gas-Phase Ethylene/Hexene Copolymerization with Metallocene Catalyst in a Laboratory-Scale Reactor," *Ind. Eng. Chem. Res.* **44**, 2428-2442, 2005.

Kou, B., K. B. McAuley, C. C. Hsu, D. W. Bacon and K. Z. Yao, "Mathematical model and parameter estimation for gas-phase ethylene homopolymerization with supported metallocene catalyst," *Ind. Eng. Chem. Res.* **44**, 2443-2450, 2005.

Kou, B., K. B. McAuley, C. C. Hsu and D. W. Bacon, "Mathematical model and parameter estimation for gas-phase ethylene/hexene copolymerization with supported metallocene catalyst," *Macromolecular Materials and Engineering* **290**, 537-557, 2005.

Puskas, J. E., S. W. P. Chan, K. B. McAuley, S. Shaikh and G. Kaszas, "Kinetics and Mechanisms in Carbocationic Polymerization: The Quest for the True Rate Constants," *J. Polym. Sci., A: Polymer Chemistry* **43**, 5394-5413, 2005.

Puskas, J. E., S. Shaikh, K. Z. Yao, K. B. McAuley and G. Kaszas, "Kinetic Simulation of Living Carbocationic Polymerizations. II. Simulation of Living Isobutylene Polymerization using a Mechanistic Model," *European Polymer Journal* **41**, 1-14, 2005.

Zheng, W., K. B. McAuley, E. K. Marchildon and K. Z. Yao, "Effects of End-Group Balance on Melt-Phase Nylon 612 Polycondensation: Experimental Study and Mathematical Model," *Ind. Eng. Chem. Res.* **44**, 2675-2686, 2005.

Cunningham, M.F., M. Lin, J.-A. Smith, J. W. Ma, K. McAuley, M. K. Georges and B. Keoshkerian, "Nitroxide Mediated Living Radical Polymerization in Dispersed Systems," *Progress in Colloid and Polymer Science* **124**, 88-93, 2004.

Ben-Zvi, A., K. McAuley and P. J. McLellan, "Identifiability Study of a Liquid-Liquid Phase Transfer Catalyzed Reaction System,"*AIChE Journal* **50**, 2493-2501, 2004.

Ben-Zvi, A., P. J. McLellan and K. B. McAuley, "Identifiability of Linear Time-Invariant Differential-Algebraic Systems - II: The Differential Algebraic Approach," *Ind. Eng. Chem. Res.* **43**, 1251-1259, 2004.

McAuley, K. B., "The Chemistry and Physics of Polyacrylamide Gel Dosimeters: Why they Do and Don't Work," *J. Phys.: Conf. Ser.***3**, 29-33. 2004.

McAuley, K. B., A. M. Fuxman and L. J. Schreiner, "Modeling Chemical and Physical Phenomena in Polyacrylamide Gel Dosimeters," *J. Phys.: Conf. Ser.* **3**, 159-162, 2004.

Yao, Z. K., K. Karan, K. B. McAuley, P. Oosthuizen, B. Peppley and T. Xie, "A Review of Mathematical Models for Hydrogen and Direct Methanol Polymer Electrolyte Membrane Fuel Cells," *Fuel Cells - From Fundamentals to Systems* **4**, 3-29, 2004.

Ben-Zvi, A., P. J. McLellan and K. B. McAuley, "Identifiability of Linear Time-Invariant Differential-Algebraic Systems - I: The Generalized Markov Parameter Approach," *Ind. Eng. Chem. Res.* **42**, 6607-6618, 2003.

Fuxman, A. M., K. B. McAuley and L. J. Schreiner, "Modeling of Free-Radical Crosslinking Copolymerization of Acrylamide and N,N'-Methylenebis(acrylamide) for Radiation Dosimetry," *Macromol. Theory Simulation* **13**, 647-662, 2003.

Ma, J. W., M. F. Cunningham, K. B. McAuley, B. Keoshkerian and M. K. Georges, "Mechanistic Model Studies of Living Nitroxide-Mediated Styrene Miniemulsion Polymerization - Opportunities for Process Improvement," *Macromol. Theory Simulation* **12**, 72-85, 2003.

Ma, J. W., M. F. Cunningham, K. B. McAuley, B. Keoshkerian and M. K. Georges, "Nitroxide-Mediated Living Radical Polymerization of Styrene in Miniemulsion - Modelling Persulfate-Initiated Systems," *Chem. Eng. Sci.* **58**, 1177-1190, 2003.

Ma, J. W., J. A. Smith, M. F. Cunningham, K. B. McAuley, B. Keoshkerian and M. K. Georges, "Nitroxide-Mediated Living Radical Polymerization of Styrene in Miniemulsion - Model Studies of Alkoxyamine-Initiated Systems," *Chem. Eng. Sci.* **58**, 1163-1176, 2003.

Schaffer, M. A., K. B. McAuley, M. F. Cunningham and E. K. Marchildon, " Experimental Study and Modeling of Nylon Polycondensation in the Melt Phase," *Ind. Eng. Chem. Res.* **42**, 2946-2959, 20003.

Schaffer, M. A., K. B. McAuley, M. F. Cunningham and E. K. Marchildon, "Prediction of Water Solubility in Nylon Melts Based on Flory-Huggins Theory," *Polym. Eng. Sci.* **43**, 639-646, 2003.

Yao, Z. K, K. B. McAuley and E. K. Marchildon, "Simulation of Continuous Solid-Phase Polymerization of Nylon 6,6 (III): Simplified Model," *J. Appl. Polym. Sci.* **89**, 3701-3712, 2003.

Yao, Z. K., B. M. Shaw, B. Kou, K. B. McAuley and D. W. Bacon, "Modeling Ethylene/Butene Copolymerization with Multi-Site Catalysts: Parameter Estimability and Experimental Design," *Polym. React. Eng.* **11**, 563-588, 2003.

Chung, J. S., G. Tairova, Y. Zhang, J. C. Hsu, K. B. McAuley and D. W. Bacon, "Polymer-Supported Metallocene Catalysts for Gas-Phase Ethylene Polymerization," *Korean J. Chem. Eng.* **19**, 597-600, 2002.

Cunningham, M.F., K. Tortosa, K., J. W. Ma, K. B. McAuley, M. K. Georges and B. Keoshkerian, "Nitroxide Mediated Living Radical Polymerization in Miniemulsion," *Macromol. Symp.* **182**, 273-282, 2002.

Cunningham, M. F., M. Xie, K. B. McAuley, B. Keoshkerian and M. K. Georges, "Nitroxide-Mediated Styrene Miniemulsion Polymerization," *Macromolecules* **35**, 59-66, 2002.

Krywko, W. P., K. B. McAuley and M. F. Cunningham, "Mathematical Modeling of Particle Morphology Development Induced by Radical Concentration Gradients in Seeded Styrene Homopolymerization," *Polym. React. Eng.* **10**, 135-161, 2002.

Salomons, G. J., Y. Park, K. B. McAuley and L. J. Schreiner, "Temperature Increases Associated with Polymerization of Irradiated PAG Gel Dosimeters," *Physics in Medicine and Biology* **47**, 1435-1448, 2002.

Ma, J. W., M. F. Cunningham, K. B. McAuley, B. Keoshkerian and M. K. Georges, "Mechanistic Model Studies of Living Nitroxide-Mediated Styrene Miniemulsions Polymerization - Interfacial Mass Transfer of Nitroxide," *Macromol. Theory Simulation* **11**, 953-960, 2002.

Ma, J. W., K. B. McAuley, M. F. Cunningham, B. Keoshkerian and M. K. Georges, "Nitroxide Partitioning between Styrene and Water," *J. Polym. Sci., Polym. Chem.* **39**, 1081-1089, 2001.

Sandink, C. A., K. B. McAuley and P. J. McLellan, "Selection of Parameters for Updating in Online Models," *Ind. Eng. Chem. Res.***40**, 3936-3950, 2001.

Schaffer, M. A., E. K. Marchildon, K. B. McAuley and M. F. Cunningham, "Assessment of Mixing Performance and Power Consumption of a Novel Polymerization Reactor System," *Chem. Eng. & Tech.* **24**, 401-408, 2001.

Yao, Z. K., K. B. McAuley, D. A. Berg and E. K. Marchildon, "A Dynamic Mathematical Model for Continuous Solid-Phase Polymerization of Nylon 6,6," *Chem. Eng. Sci.* **56**, 4801-4814, 2001.

Yao, Z. K. and K. B. McAuley, "Simulation of continuous solid-phase polymerization of nylon 6,6 (II): processes with moving bed level and changing particle properties," *Chem. Eng. Sci.* **56**, 5327-5342, 2001.

Schaffer, M. A., E. K. Marchildon, K. B. McAuley and M. F. Cunningham, "Thermal Non-Oxidative Degradation of Nylon 6,6," *J. Macromol. Sci. Rev.* **40**, 233-272, 2000.

Dadebo, S. A., K. B. McAuley and P. J. McLellan, "On the Computation of Optimal Singular and Bang-Bang Controls," *Opt. Control Appl. Meth.,* **19**, 287-297, 1998.

Shaw, B. M., K. B. McAuley and D. W. Bacon, "Simulating Joint Chain Length and Composition Fractions from Semi-Batch Ethylene Copolymerization Experiments," *Polym. React. Eng.* **6**, 113-142, 1998.

Dadebo, S. A., M. L. Bell, P. J. McLellan and K. B. McAuley, "Temperature Control of Industrial Gas-Phase Polyethylene Reactors,"*J. of Proc. Cont.* **7**, 83-95, 1997.

Jiang, Y., K. B. McAuley and C. C. Hsu, "Heat Removal from Gas-Phase Polyethylene Reactors in Supercondensed Mode," *Ind. Eng. Chem. Res.* **36**, 1176-1180, 1997.

Jiang, Y., K. B. McAuley and C. C. Hsu, "Effects of Operating Conditions on Heat Removal from Polyethylene Reactors," *AIChE J.***43**, 2073-2082, 1997.

Jiang, Y., K. B. McAuley and C. C. Hsu, "Nonequilibrium Modeling of Condensed-Mode Cooling of Polyethylene Reactors," *AIChE J.* **43**, 13-24, 1997.

Miller, N. C., R. W. Toffolo, K. B. McAuley and P. J. McLellan, "Determining Polymer Chain Length Distributions Using Numerical Inversion of Laplace Transforms," *Polym. React. Eng.* **4**, 279-301, 1996.

Dadebo, S. A. and K. B. McAuley, "A Simultaneous Iterative Solution Technique for Time-Optimal Control Using Dynamic Programming," *Ind. Eng. Chem. Res.* **34**, 2077-2083, 1995.

Dadebo, S. A. and K. B. McAuley, "Dynamic Optimization of Constrained Chemical Engineering Problems Using Dynamic Programming," *Computers chem. Engng.* **19**, 513-525, 1995.

Dadebo, S. A. and K. B. McAuley, "Iterative Dynamic Programming for Minimum Energy Control Problems with Time-Delay," *Opt. Control Appl. Meth.* **16**, 217-227, 1995.

McAuley, K. B., D. A. Macdonald and P. J. McLellan, "Effects of Operating Conditions on Stability of Gas-Phase Polyethylene Reactors," *AIChE J.* **41**, 868-879, 1995.

Xie, T., K. B. McAuley, C. C. Hsu and D. W. Bacon, "Modeling Molecular Weight Development of Gas-Phase Olefin Copolymerization," *AIChE J.* **41**, 1251-1265, 1995.

Zhang, X., K. B. McAuley and M. F. A. Goosen, "Towards Prediction of Release Profiles of Antibiotics from Coated Poly(DL-lactide) Cylinders," *J. of Controlled Release* **34**, 175-179, 1995.

McAuley, K. B., J. P. Talbot and T. J. Harris, "A Comparison of Two-Phase and Well-Mixed Models for Fluidized-Bed Polyethylene Reactors," *Chem. Eng. Sci.* **49**, 2035-2045, 1994.

Xie, T., K. B. McAuley, C. C. Hsu and D. W. Bacon, "Gas Phase Ethylene Polymerization: Production Processes, Polymer Properties, and Reactor Modeling," *Ind. Eng. Chem Res.* **33**, 449-479, 1994.

Zhang, X., D. A. Macdonald, M. F. Goosen and K. B. McAuley, "Mechanism of Lactide Polymerization in the Presence of Stannous Octoate: The Effect of Hydroxy and Carboxylic Acid Substances," *J. Polym Sci.: Part A, Polym. Chem.* **32**, 2965-2970, 1994.

McAuley, K. B. and J. F. MacGregor, "Nonlinear Product Property Control in Industrial Gas-Phase Polyethylene Reactors," *AIChE J. ***39**, 855-866, 1993.

McAuley, K. B. and J. F. MacGregor, "Optimal Grade Transitions in a Gas Phase Polyethylene Reactor," *AIChE J.* **38**, 1564-1576, 1992.

McAuley, K. B. and J. F. MacGregor, "On-line Inference of Polymer Properties in an Industrial Polyethylene Reactor," *AIChE J.* **37**, 825-835, 1991.

McAuley, K. B., J. F. MacGregor and A. E. Hamielec, "A Kinetic Model for Industrial Gas-Phase Ethylene Copolymerization," *AIChE J.* **36**, 837-850, 1990.

Beirnes, K. J. and C. M. Burns, "Thermal Analysis of Glass Transition of Plasticized Poly(vinyl Chloride)," *J. Appl. Polym. Sci.* **31**, 2561-2567, 1986.

### Books (Chapters)

K. Y. Choi and K. B. McAuley, "Step-Growth Polymerization," Ch. 7, in *Polymer Reaction Engineering*, J. M. Asua, ed(s)., Blackwell Publishing, 2007.