Faculty, Chemical Engineering

**Research Interests**

- Mathematical Modeling
- Parameter Estimation
- Design of Experiments
- Process Monitoring and Control
- Polymer Reaction Engineering

**Research Objectives**

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. Professor McAuley's models help companies to scale-up, 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 has developed 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 for processes influenced by stochastic disturbances
- Models of polymerization reactors that describe detailed branching and molecular weight development
- Models of complex processes for biomass gasification and pharmaceutical production

**Journal Publications**

Moshiritabrizi, I., J.P. McMullen, B.M. Wyvratt and K.B. McAuley, "Process Knowledge for Drug Substance Production via Kinetic Modelling, Parameter Estimability Analysis and Reaction Optimization", *Reaction Chemistry & Engineering*, **9**, 2669-2682, 2024.

Haidar, H.M., J.W. Butler, S. Lotfi, A.D.D. Vo, P. Gogolek and K.B. McAuley, "Modeling of a Heat-Integrated Biomass Downdraft Gasifier: Influence of Feed Moisture and Air Flow", *Biomass and Bioenergy*, **187**, paper 107282, 2024.

Liu, Q.J. and K.B. McAuley, "Simultaneous State-Estimator Tuning and Parameter Estimation for Systems with Nonstationary Disturbances, Multi-Rate Data and Measurement Delays", *Canadian Journal of Chemical Engineering*, paper 25386, accepted, 2024.

Gibson, L.A. and K.B. McAuley, "Bayesian Parameter Estimation Using Truncated Normal Distributions as Priors for Parameters in Fundamental Models of Chemical Processes", *Canadian Journal of Chemical Engineering*, paper 25398, 2024.

Gibson, L.A., F.F. Liu, T.J. Harris and K.B. McAuley, "A Simple Method for Incorporating Prior Parameter Information during Model-Based D-Optimal Design of Experiments for Multi-Response Chemical Process Models", *Industrial & Engineering Chemistry Research*, **63**, 10651-10665, 2024.

El Halabi, A., K. Abdi, A.D.D. Vo, A. Ebrahimzadeh, J.F. van den Hoek, L. van der Velden, R.X.E. Willemse, M.J.N. van der Linden, P.D. Iedema and K.B. McAuley, "Accounting for Spatial Variations during Photopolymerization of 1,6-hexane-diol Diacrylate in the Presence of Oxygen", *AIChE Journal*, **70**, paper e18490, 2024.

Straznicky, J.I., P.D. Iedema, K. Remerie and K.B. McAuley, "A Deterministic Model to Predict Tacticity Changes During Controlled Degradation of Polypropylene", *Chemical Engineering Science*, **293**, paper 120064, 2024.

Moshiritabrizi, I., J.P. McMullen, B. Wyvratt and K.B. McAuley, "Parameter Estimation and Estimability Analysis in Pharmaceutical Models with Uncertain Inputs", *AIChE Journal*, **70**, paper e18168, 2024.

Abdi, K., B. Celse and K.B. McAuley, "Propagating Input Uncertainties into Parameter Uncertainties and Model Prediction Uncertainties - A Review", *Canadian Journal of Chemical Engineering*, **102**, 254-273, 2024.

Atarianshandiz, M., K.B. McAuley and A. Shahsavand, "Modeling and Parameter Tuning for Continuous Catalytic Reforming of Naphtha in an Industrial Reactor System", *Processes*, **11**, paper 2838, 2023.

Abdi, K., B. Celse and K.B. McAuley, "Parameter Estimation and Prediction Uncertainties for Multi-response Kinetic Models with Uncertain Inputs", *AIChE Journal*, **69**, paper e18058, 2023.

Gibson, L.A., Y. Jiang, T. Boller, H. Chiang and K.B. McAuley, "Modeling and Parameter Estimation for Gas-Phase Polyethylene Product Properties using Dynamic and Steady-State Data", *Macromolecular Reaction Engineering*, **17**, paper 2200067, 2023.

Straznicky, J.I., J.P. Aiello, L.A. Gibson, Y. Jiang, T. Boller, H. Chiang and K.B. McAuley, "Combining 13C-NMR Triad Sequence Data with Joint Molecular Weight and Composition Data to Estimate Parameters in a Gas-Phase Polyethylene Reactor Model", *Macromolecular Theory & Simulations*, **32**, paper 2200073, 2023.

Sanborn, S.D., D. Varshney and K.B. McAuley, "Orthogonalization-Based Gain Conditioning for Linear Model Predictive Control", *Industrial & Engineering Chemistry Research*, **62**, 1463-1479, 2023.

Vo, A.D.D., K. Abdi, J.F.U. Tak, R.X.E. Willemse, L. van der Velden, M.N. van der Linded, P.D. Iedema and K.B. McAuley, "Mathematical Modeling for 1,6-Hexanediol Diacrylate Photopolymerization in Presence of Oxygen", *Canadian Journal of Chemical Engineering*, **101**, 4807-4818, 2023.

Abdi, K., Vo, A.D.D. Vo, H. Boonen, R.X.E. Willemse, L. van der Velden, M.N van der Linden, P,D. Iedema and K.B. McAuley, "Mathematical Modeling and Parameter Estimation for 1,6-Hexanediol Diacrylate Photopolymerization with Bifunctional Initiator", *Chemical Engineering Science*, **262**, paper 118011, 2022.

Gibson, L.A., J.P. Aiello, Y. Jiang, T. Boller and K.B. McAuley, "Accounting for Temperature Effects when Predicting Molecular Weight and Composition Distribution for Gas-Phase Polyethylene Produced using a Multi-Site Catalyst", *Macromolecular Theory & Simulations*, **31**, paper 2200023, 2022.

Liu, Q.J., D. Varshney and K.B. McAuley, "Parameter and Uncertainty Estimation in Stochastic Differential Equation Models with Multi-Rate Data and Nonstationary Disturbances", *Chemical Engineering Research and Design*, **183**, 118-133, 2022.

Abdi, K. and K.B. McAuley,"Estimation of Output Measurement Variances for EVM Parameter Estimation", *AIChE Journal*, **68**, paper e17735, 2022.

Iedema, P.D,, K. Remerie, D. Seegers and K.B. McAuley, "Tacticity Changes During Controlled Degradation of Polypropylene", *Macromolecules*, **54**, 8921-8935, 2021.

Liu, F.F., A.D. Vo and K.B. McAuley, "Diagnosing Parameter Estimability Problems in Polymerization Models", *Macromolecular Theory & Simulations*, **30**, paper 2100045, 2021.

Vo, A.D., A. Shahmohammadi and K.B. McAuley, "Model-Based Design of Experiments for Polyether Production from Bio-Based 1,3-Propanedioal", *AIChE Journal*, **67**, paper e17394, 2021.

Aiello, J.P, Y. Jiang, J.A. Moebus, B.R. Greenhalgh and K.B. McAuley, "Predicting Polyethylene Molecular Weight and Composition Distributions Obtained Using a Multi-Site Catalyst in a Gas-Phase Lab-Scale Reactor", *Macromolecular Theory & Simulations*, **30**, paper 2000079, 2021.

Vo, A.D., R.E. Spence and K.B. McAuley, "Parameter Estimation in a PO3G Model with Temperature Effects", *Macromolecular Theory & Simulations*, **30**, paper 2000061, 2021.

Liu, Q.A., H. Karimi and K.B. McAuley, "Estimating Uncertainties and Parameters for Fundamental Models used in On-Line Monitoring and Control", *Canadian Journal of Chemical Engineering*, **99**, 1268-1287, 2021.

Shahmohammadi, A. and K.B. McAuley, "Using Prior Parameter Knowledge in Model-Based Design of Experiments for Pharmaceutical Production", *AIChE Journal*, **66**, paper e17021, 2020.

Vo, A.D., W.J. Cui and K.B. McAuley, "An Improved PO3G Model - Accounting for Cyclic Oligomers", *Macromolecular Theory & Simulations*, **29**, paper 2000023, 2020.

Vo, A.D. and K.B. McAuley, "An Improved Model for Polyether Production from 1,3-Propanediol", *Macromolecular Reaction Engineering*, **14**, paper 1900045, 2020.

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*, **14**, paper 1900037, 2020.

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*, **98**, 158-171, 2020.

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*, **66**, paper e16784, 2020.

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*, **129**, paper 106504, 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.

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

**Awards**

- Fellow, Chemical Institute of Canada
- Fellow, Canadian Academy of Engineering
- DG Fisher Award, Canadian Society for Chemical Engineering
- 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

**Funding (2014-2024)**

CIHR, E.I. du Pont Canada, Eli Lilly, Enviro Innovate, EUROKIN, ExxonMobil, Fields Institute CQAM, Greenfield Specialty Alcohols, Honeywell, Imperial Oil, Merck, Mitacs, NOVA Chemicals, NRCan, TIPb, NSERC (Alliance, CRD, Discovery, Engage, Engage Plus).

Gibson, L.A., "Combining Statistical Methods and Fundamental Models for Polymerization and Pharmaceutical Processes", PhD. Thesis, Queen's University (2024).

Liu, Q.A., "Simultaneous Parameter Estimation and State-Estimator Tuning for Fundamental Models", Ph.D. Thesis, Queen's University (2023).

Abdi, K., "Parameter Estimation and Uncertainty Quantification for Chemical Process Models with Uncertain Inputs", Ph.D. Thesis, Queen's University (2022).

Vo, A.D.D., "Modelling and Parameter Estimation for a PO3G Polyethere Process", Ph.D. Thesis, Queen's University (2021).

Shahmohammadi, A. "Model-Based Design of Experiments in Fundamental Models for Pharmaceutical Production", Ph.D. Thesis, Queen's University (2019).

Liu, F.F. "Mathematical Modeling of Nylon 6/6,6 Copolymerization", Ph.D. Thesis, Queen's University (2018).

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).

Sanborn, S.D., "Gain Conditionining for Linear Model Predictive Control", MASc. Thesis, Queen's University (2022).

Ho, C., "Towards Improved Process Development for Biolubricant Production from Vegetable Oils", MASc. Thesis, Queen's University (2019).

Smith, S.A., "Improved Recipes for Leuco-Crystal Violet Micelle Gel Dosimeters", MASc. Thesis, Queen's University (2019).

Buren, B.D., "Mathematical Modeling of Arborescent Polyisobutylene Production in Continuous and Semi-Batch Reactors", MASc. Thesis, Queen's University (2018).

Tran, N.H., "Mathematical Modelling for Carbon Dioxide Removal from Flue Gas using Micron-Size Water Droplets", MASc. Thesis, Queen's University (2017).

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).

Students are required for **new research projects** that focus on:

- Selection of operating conditions for new experiments that will lead to improved parameter values and reliable model predictions
- Combining imperfect fundamental models with data-driven disturbance models to obtain reliable predictions and process control

**Master's and PhD students who are interested in combining data with fundamental models of chemical processes are encouraged to apply. **