A system is identifiable if and only if the relationship between the parameters and the input-out... more A system is identifiable if and only if the relationship between the parameters and the input-output behaviour of the system is unique. If a system is not identifiable, then accurate parameter estimation is not possible because identical input-output behaviour can be obtained for several values of the parameters. Most identifiability work in the literature has focused on ordinary differential equation
ABSTRACT A mathematical model of an industrial steam-methane reformer (SMR) is developed for use ... more ABSTRACT A mathematical model of an industrial steam-methane reformer (SMR) is developed for use in monitoring tube-wall temperatures. The model calculates temperature profiles for the outer-tube wall, inner-tube wall, furnace gas and process gas. Inputs are the reformer inlet-stream conditions, the furnace geometry and material properties of the furnace and catalyst-bed. The model divides the reformer into zones of uniform temperature and composition. Radiative-heat transfer on the furnace side is modeled using the Hottel Zone method. Energy and material balances are solved numerically. The effect of important model parameters on reformer temperature profiles is assessed and the parameters are fit to data from an industrial SMR. At plant rates greater than 85% the model accurately predicts the process-gas outlet temperature, composition, pressure, flow rate and tube-wall temperatures. The adjustable parameters may need to be re-estimated using additional low plant rate data. The model has the capacity to be developed into a more complex model that accounts for classes of tubes associated with different radiative environments.
This paper discusses the kinetic simulation of TiCl4––coinitiated living carbocationic isobutylen... more This paper discusses the kinetic simulation of TiCl4––coinitiated living carbocationic isobutylene (IB) polymerizations governed by dormant-active equilibria, using a mechanistic model. Two kinetic models were constructed from the same underlying mechanism: one using a commercial simulation software package (Predici®), and the other using the method of moments. Parameter estimation from experimental batch reactor data with Predici yielded a rate constant
Page 1. Znd. Eng. Chem. Res. 1994,33, 449-479 REVIEWS 449 Gas Phase Ethylene Polymerization: Prod... more Page 1. Znd. Eng. Chem. Res. 1994,33, 449-479 REVIEWS 449 Gas Phase Ethylene Polymerization: Production Processes, Polymer Properties, and Reactor Modeling Tuyu Xie, Kim B. McAuley,' James C. C. HSU, and David ...
Mechanistic models for ethylene copolymerization with Ziegler–Natta catalysts contain many kineti... more Mechanistic models for ethylene copolymerization with Ziegler–Natta catalysts contain many kinetic rate constants. Precise estimates of key parameters are required if the models are to be used to obtain reliable predictions of polymer properties for a specified catalyst over a range of polymerization conditions. In this paper, a novel method is developed to assist modelers in assessing whether their model
Gas-phase ethylene and hexene copolymerization using a silica-supported (n-BuCp)2ZrCl2 metallocen... more Gas-phase ethylene and hexene copolymerization using a silica-supported (n-BuCp)2ZrCl2 metallocene catalyst has been investigated i na2L laboratory reactor. Replicate experimental runs were conducted to confirm the reproducibility of measured responses, which included polymerization rate, reactant concentrations, and copolymer properties. Comparisons of polym- erization rate profiles and catalyst activity were made using a number of designed experimental runs. The experiments revealed
Page 1. Interfacial Mass Transfer in Nitroxide-Mediated Miniemulsion Polymerization John W. Ma,1 ... more Page 1. Interfacial Mass Transfer in Nitroxide-Mediated Miniemulsion Polymerization John W. Ma,1 Michael F. Cunningham,*1 Kim B. McAuley,1 Barkev Keoshkerian,2 Michael K. Georges3 1 Department of Chemical Engineering ...
Journal of Polymer Science Part A: Polymer Chemistry, 2001
Skip to Main Content. Due to scheduled maintenance access to the Wiley Online Library may be disr... more Skip to Main Content. Due to scheduled maintenance access to the Wiley Online Library may be disrupted as follows: Monday, 6 September - New York 0400 EDT to 0500 EDT; London 0900 BST to 1000 BST; Singapore 1600 to 1700. ...
A system is identifiable if and only if the relationship between the parameters and the input-out... more A system is identifiable if and only if the relationship between the parameters and the input-output behaviour of the system is unique. If a system is not identifiable, then accurate parameter estimation is not possible because identical input-output behaviour can be obtained for several values of the parameters. Most identifiability work in the literature has focused on ordinary differential equation
ABSTRACT A mathematical model of an industrial steam-methane reformer (SMR) is developed for use ... more ABSTRACT A mathematical model of an industrial steam-methane reformer (SMR) is developed for use in monitoring tube-wall temperatures. The model calculates temperature profiles for the outer-tube wall, inner-tube wall, furnace gas and process gas. Inputs are the reformer inlet-stream conditions, the furnace geometry and material properties of the furnace and catalyst-bed. The model divides the reformer into zones of uniform temperature and composition. Radiative-heat transfer on the furnace side is modeled using the Hottel Zone method. Energy and material balances are solved numerically. The effect of important model parameters on reformer temperature profiles is assessed and the parameters are fit to data from an industrial SMR. At plant rates greater than 85% the model accurately predicts the process-gas outlet temperature, composition, pressure, flow rate and tube-wall temperatures. The adjustable parameters may need to be re-estimated using additional low plant rate data. The model has the capacity to be developed into a more complex model that accounts for classes of tubes associated with different radiative environments.
This paper discusses the kinetic simulation of TiCl4––coinitiated living carbocationic isobutylen... more This paper discusses the kinetic simulation of TiCl4––coinitiated living carbocationic isobutylene (IB) polymerizations governed by dormant-active equilibria, using a mechanistic model. Two kinetic models were constructed from the same underlying mechanism: one using a commercial simulation software package (Predici®), and the other using the method of moments. Parameter estimation from experimental batch reactor data with Predici yielded a rate constant
Page 1. Znd. Eng. Chem. Res. 1994,33, 449-479 REVIEWS 449 Gas Phase Ethylene Polymerization: Prod... more Page 1. Znd. Eng. Chem. Res. 1994,33, 449-479 REVIEWS 449 Gas Phase Ethylene Polymerization: Production Processes, Polymer Properties, and Reactor Modeling Tuyu Xie, Kim B. McAuley,' James C. C. HSU, and David ...
Mechanistic models for ethylene copolymerization with Ziegler–Natta catalysts contain many kineti... more Mechanistic models for ethylene copolymerization with Ziegler–Natta catalysts contain many kinetic rate constants. Precise estimates of key parameters are required if the models are to be used to obtain reliable predictions of polymer properties for a specified catalyst over a range of polymerization conditions. In this paper, a novel method is developed to assist modelers in assessing whether their model
Gas-phase ethylene and hexene copolymerization using a silica-supported (n-BuCp)2ZrCl2 metallocen... more Gas-phase ethylene and hexene copolymerization using a silica-supported (n-BuCp)2ZrCl2 metallocene catalyst has been investigated i na2L laboratory reactor. Replicate experimental runs were conducted to confirm the reproducibility of measured responses, which included polymerization rate, reactant concentrations, and copolymer properties. Comparisons of polym- erization rate profiles and catalyst activity were made using a number of designed experimental runs. The experiments revealed
Page 1. Interfacial Mass Transfer in Nitroxide-Mediated Miniemulsion Polymerization John W. Ma,1 ... more Page 1. Interfacial Mass Transfer in Nitroxide-Mediated Miniemulsion Polymerization John W. Ma,1 Michael F. Cunningham,*1 Kim B. McAuley,1 Barkev Keoshkerian,2 Michael K. Georges3 1 Department of Chemical Engineering ...
Journal of Polymer Science Part A: Polymer Chemistry, 2001
Skip to Main Content. Due to scheduled maintenance access to the Wiley Online Library may be disr... more Skip to Main Content. Due to scheduled maintenance access to the Wiley Online Library may be disrupted as follows: Monday, 6 September - New York 0400 EDT to 0500 EDT; London 0900 BST to 1000 BST; Singapore 1600 to 1700. ...
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Papers by Kim McAuley