## Associate Dean, School of Graduate Studies

**Professor**

**Tel:** (613) 533-6000 ext. 77562**Fax:** (613) 533-6637**Email:** kim.mcauley@queensu.ca**Office: **Gordon Hall 425

## Main

### Awards

- Queen Elizabeth II Diamond Jubilee Medal
- Award for Excellence in Graduate Student Supervision
- MITACS Mentorship Award for Graduate Student Supervision
- Premier's Research Excellence Award
- First Year Teaching and Learning Award
- Golden Apple Teaching Awards
- Queen's National Scholar
- Governor General's Gold Medal

### Research Interests

- Mathematical Modeling
- Parameter Estimation
- Process Monitoring and Control
- Polymerization
- Polymer Gel Dosimetry

### Current and Recent Research Projects

Kim McAuley's research group develops mathematical models of chemical and biochemical processes. These models are used to predict product quality, production rates and the effectiveness of operating and control strategies for industrial processes and laboratory-scale reactor systems. Professor McAuley's models help companies to monitor, optimize and control their production processes. One of the most difficult problems faced by modelers is determining appropriate values for kinetic, thermodynamic and mass-transfer parameters that appear in model equations. McAuley's research group develops methods for estimating parameters in a variety of challenging situations including:

- models with a large number of parameters and insufficient data to reliably estimate all of them
- simplified models and models for use in on-line monitoring and control
- fundamental dynamic models of processes influenced by stochastic disturbances
- models of polymerization reactors that describe detailed branching and molecular weight development

In addition, Kim McAuley collaborates with the Southeastern Ontario Cancer Centre to develop polymer gel dosimeters used for calibrating 3-D radiation dose distributions generated by cancer radiotherapy equipment. Experiments and models are used to design improved 3D gel dosimeters that are safer to use and that have improved accuracy using a variety of read-out techniques.

** New Master's and Ph.D. students who are interested in developing improved gel dosimeters or who want to pursue research in modeling of chemical processes are encouraged to apply. **

**Funding (2006-2016)**

Abbott Point of Care, BASF, CFI, CIHR, Cybernetica, DSM, DuPont, Enviro Innovate, Eli Lilly, Greenfield Specialty Alcohols, Hatch, Honeywell, Innovene, Matrikon, Mitacs, MPRIME, NOVA Chemicals, OCE, Praxair, Shell Global Solutions, NSERC (Discovery, CRD, IPS, Engage, Engage Plus), SAS.

## Publications

# Publications

### Journal Publications

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*, accepted, 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*. accepted, 2016.

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.

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*, accepted, 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,** 0102037, 2015. DOI: 10.1088/1742-6596/573/1/012037.

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**, 012039, 2015. DOI:10.1088/1742-6596/573/1/012038.

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**, doi:10.1088/1742-6596/250/1/012066, 2010.

Schreiner, L. J., T. Olding and K. B. McAuley, "Polymer Gel Dosimetry," *Journal of Physics: Conference Series* **250**, doi: 10.1088/1742-6596/250/1/012014, 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**, doi: 10.1088/1742-6596/250/1/012072, 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**, doi: 10.1088/1742-6596/250/1/012065, 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, 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**, 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**, 1, 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 [More information].

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**, 2443-2450, 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**, 2428-2442, 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, 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**, 2675-2688, 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. B. 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**, 1/2, 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**, 9, 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, 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**, 7, 1177, 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**, 7, 1163, 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**, 13, 2946, 2003.

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**, 3, 639, 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, 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**, 3, 563, 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, 2002.

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

Cunningham, M. F., M. Xie, K. B. McAuley, B. Keoshkerian and M. K. Georges, "Nitroxide-Mediated Styrene Miniemulsion Polymerization," *Macromolecules* **35**, 59, 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**, 3, 135, 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, 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, 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, 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, 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, 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, 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, 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, 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, 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, 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, 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, 1997.

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

Jiang, Y., K. B. McAuley and C. C. Hsu, "Nonequilibrium Modeling of Condensed-Mode Cooling of Polyethylene Reactors," *AIChE J.* **43**, 13, 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, 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, 1995.

Dadebo, S. A. and K. B. McAuley, "Dynamic Optimization of Constrained Chemical Engineering Problems Using Dynamic Programming," *Computers chem. Engng.* **19**, 513, 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, 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, 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, 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, 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, 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, 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, 1994.

McAuley, K. B. and J. F. MacGregor, "Nonlinear Product Property Control in Industrial Gas-Phase Polyethylene Reactors," *AIChE J.***39**, 5, 855, 1993.

McAuley, K. B. and J. F. MacGregor, "Optimal Grade Transitions in a Gas Phase Polyethylene Reactor," *AIChE J.* **38**, 10, 1564, 1992.

McAuley, K. B. and J. F. MacGregor, "On-line Inference of Polymer Properties in an Industrial Polyethylene Reactor," *AIChE J.* **37**, 6, 825, 1991.

McAuley, K. B., J. F. MacGregor and A. E. Hamielec, "A Kinetic Model for Industrial Gas-Phase Ethylene Copolymerization," *AIChE J.* **36**, 6, 837, 1990.

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

## Theses Supervised

### Graduate Student Theses Supervised

### Ph.D. Theses

Cui, W.J. "Mathematical Models of Polyether Production from Bio-Based 1,3-Propanediol, "Ph.D. Thesis, Queen's University (2014).

Eghtesadi, Z., "A Mean-Squared-Error-Based Methodology for Parameter Ranking and Selection to Obtain Accurate Model Predictions at Key Operating Conditions", Ph.D. Thesis, Queen's University (2014).

Zhao, Y.R., "Mathematical Modeling of Arborescent Polyisobutylene Production in Batch Reactor Using Novel Material Balance and Monte Carlo Methods (2014).

Nasr, A.T., "Modeling and Development of Three-Dimensional Gel Dosimeters", Ph.D. Thesis, Queen's University (2014).

Karimi, H., "Parameter Estimation Techniques for Nonlinear Dynamic Models with Limited Data, Process Disturbances and Modeling Errors", Ph.D. Thesis, Queen's University (2013).

Thompson, D.E., "Modeling of Molecular Weight Distribution in Zieger-Natta Catalyzed Ethylene Copolymerizations", Ph.D. Thesis, Queen's University (2009).

Wu, S., "Selection of Simplified Models and Parameter Estimation Using Limited Data", Ph.D. Thesis, Queen's University (2009).

Varziri, M.S., "Parameter Estimation in Nonlinear Continuous-Time Dynamic Models with Modelling Errors and Process Disturbances", Ph.D. Thesis, Queen's University (2008).

Sun, L., "Numerical Studies of the Flow and Pressure Distribution in a PEM Fuel Cell Flow Plate adjacent to a Porous Gas Diffusion Layer", Ph.D. Thesis, Queen's Univeristy (2006).

Kou, B., "Mathematical Modelling of Gas-Phase Ethylene/Hexene Copolymerization with Metallocene Catalyst", Ph.D. Thesis, Queen's University (2004).

Schaffer, M. A., "Chemical Pathways and Kinetics of the Later Stages of Nylon Polymerization Processes", Ph.D. Thesis, Queen's University (2003).

Ma, J., "Living Nitroxide-Mediated Styrene Miniemulsion Polymerization", Ph.D. Thesis, Queen's University (2002).

Shaw, B.M., "Statistical Issues in Kinetic Modelling of Gas-Phase Ethylene Copolymerization", Ph.D. Thesis, Queen's University (1999).

Jiang, Y., "Non-Equilibrium Modeling of Multi-Component Condensation in a Vertical Heat Exchanger of a Polyethylene Reactor", Ph.D. Thesis, Queen’s University (1997).

Dadebo, S.A., "Dynamic Optimization and Nonlinear Control of Chemical Processes", Ph.D. Thesis, Queen’s University (1996).

### M.Sc.(Eng.) Theses

Hajar, Y. "Study on Energy Recovery and Anhydrite Production from Elemental Sulfur", MASc. Thesis, Queen's University (2015).

Cowperthwaite, E. "Mathematical Model for Ethane Pyrolysis in an Industrial Furnace", MASc. Thesis, Queen's University (2014).

Li, X.L., "Modeling of Point of Care Devices for Carbon Dioxide in Blood", MASc. Thesis, Queen's University (2014).

Francouer, A. J. B., "A Mathematical Model for the Devolatalization of EPDM Rubber in a Series of Steam Stripping Vessels", MASc. Thesis, Queen's University (2012).

Woloszyn, J. D., "Model Development and Parameter Estimation for Styrene Polymerization", MASc. Thesis, Queen's University (2012).

McLean, K. A. P., "Obtaining the Best Model Predictions and Parameter Estimates using Limited Data", MASc. Thesis, Queen's University (2011).

Snyder, S. L., "Modeling the Thermal Stability of *in vitro* Diagnostic Assays", MASc. Thesis, Queen's University (2010).

Chain, J. N. M., "Recipe Improvement and Mathematical Modeling of Polymer Gel Dosimeters", MASc. Thesis, Queen's University (2010).

Latham, D. A., "Mathematical Modelling of an Industrial Steam Methane Reformer", MASc. Thesis, Queen's University (2008).

Koeva, V. I., "Improved Recipes for Polymer Gel Dosimeters Containing N-Isopropylacrylamide", M.Sc. Thesis, Queen's University (2008).

Castagne, D., "Mathematical Modeling of PEM Fuel Cell Cathodes: Comparison of First-Order and Half-Order Reaction Kinetics", MASc. Thesis, Queen's University (2008).

Senden, R. J., "Polymer Gel Dosimeters With Reduced Toxicity and Enhanced Performance", MASc. Thesis, Queen's University (2006)

Wu, S., "Two-Step Estimation in Linear Regression", MASc. Thesis, Queen's University (2005)

Chan, S.W., "The Quest for True Rate Constants: Carbocationic Polymerization", MASc. Thesis, Queen's University (2005).

Poyton, A., "Parameter Estimation in Dynamic Models Using Principal Differential Analysis", MASc. Thesis, Queen's University (2005).

Zheng, W., "Experimental Study and Mathematical Modeling of Melt-Phase Nylon Polycondensation Reaction", MASc. Thesis, Queen's University (2004).

Fuxman, A. M., "Modelling Chemical and Physical Phenomena in Polyacrylamide Gel for Radiation Dosimetry", MASc. Thesis, Queen's University (2003).

Zhang, Q., "Dynamic Mathematical Modeling of a Polyacrylamide Gel Dosimeter", MASc. Thesis, Queen's University (2001).

Liu, Q., "Mathematical Modeling and Parameter Estimation in Living Isobutylene Polymerization", MASc. Thesis, Queen's University (2001).

Benda, M.A., "Nonlinearity and Controller Performance for Product Property Control in a Gas-Phase Polyethylene Reactor", MASc. Thesis, Queen's University (2000).

Xie, M., "Nitroxide-Mediated Living Radical Styrene Polymerization in Miniemulsion", MASc. Thesis, Queen's University (2000).

Sandink, C.A., "Screening Diagnostics for Parameter Selection in Extended Kalman Filter Implementations", MASc. Thesis, Queen's University (1999).

Haskins, G.D., "Reactor Modifications for Ethylene-Butene Gas-Phase Copolymerization", MASc. Thesis, Queen's University (1999).

Tremblay, A., "Parameter Estimation from Polymerization Reactor and Product Property Data: Missing Data Approach", MASc. Thesis, Queen’s University (1999).

Krywko, W.P., "Modelling Morphology and Molecular Weight Development in Emulsion Homopolymerization", MASc. Thesis, Queen’s University (1998).

Macdonald, D.A., "Mechanism and Mathematical Modeling of Polylactide Synthesis for Biomedical Applications", MASc. Thesis, Queen’s University (1998).

Williams, C.H., "Commissioning of an Ethylene-1-Butene Co-Polymerization Reactor", MASc.Thesis, Queen’s University (1996).

Toffolo, R.W., "The Modeling of Molecular Weight Distributions Using Laplace Transforms", MASc. Thesis, Queen’s University (1995).