Department of Chemical Engineering Faculty Publications
Recent Submissions
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Accounting for Temperature Effects When Predicting Molecular Weight and Composition Distribution for Gas-Phase Polyethylene Produced Using a Multi-Site Catalyst
(Wiley, 2022-07-19)A dynamic model is developed for gas-phase ethylene/1-hexene polymerization with a three-site hafnocene catalyst. The model accurately predicts molecular weight and comonomer composition distributions for fifteen lab-scale ... -
Methacrylate and Styrene Block Copolymer Synthesis by Cu-Mediated Chain Extension of Acrylate Macroinitiator in a Semibatch Reactor
(Wiley, 2021-12-10)A process for the well-controlled growth of acrylates by Cu-mediated polymerization has been developed, with macroinitiator synthesized continuously in a copper tubular reactor and subsequently chain-extended in a semibatch ... -
Non-Covalent Polymer Surface Modification of Cellulose Nanocrystals Using Block Copolymers
(Wiley, 2021-12-14)Cellulose nanocrystals (CNC) possess desirable mechanical and optical properties that make them a candidate in the development of next generation of polymer-based composites. However, CNC also have a critical issue associated ... -
Electrochemical CO2 Reduction to Ethanol: From Mechanistic Understanding to Catalyst Design
(Journal of Materials Chemistry A, 2021-05-11)The electrochemical reduction of carbon dioxide (CO2) to chemicals is gaining great attention as a pragmatic solution for greenhouse gas mitigation and for the utilization of CO2 to produce useful fuels and chemical ... -
Gas diffusion electrode design for electrochemical carbon dioxide reduction
(Royal Society of Chemistry, 2020-10-05)Anthropogenic carbon dioxide (CO2) emissions contribute to the greenhouse effect and global warming, which can lead to undesirable climate change and extinction of species. Besides the ongoing efforts to develop environmentally ... -
Using Prior Parameter Knowledge in Model‐Based Design of Experiments for Pharmaceutical Production
(Wiley, 2020-08-11)Sequential model‐based design of experiments (MBDoE) uses information from previous experiments to select new experimental conditions. Computation of MBDoE objective functions can be impossible due to a non‐invertible ... -
Fundamentals of Electrochemical CO2 Reduction on Single-Metal-Atom Catalysts
(American Chemical Society, 2020-08-06)Electrochemical carbon dioxide (CO2) reduction powered by renewable electricity offers a path to produce valuable products from CO2 —this earth-scale human waste— and to store intermittent renewable energy in the form of ... -
Extended cross decomposition for mixed-integer linear programs with strong and weak linking constraints
(Elsevier BV, 2018-11-02)Large-scale mixed-integer linear programming (MILP) problems, such as those from two-stage stochastic programming, usually have a decomposable structure that can be exploited to design efficient optimization methods. ... -
A joint decomposition method for global optimization of multiscenario nonconvex mixed-integer nonlinear programs
(Springer Science and Business Media LLC, 2019-11-01)This paper proposes a joint decomposition method that combines Lagrangian decomposition and generalized Benders decomposition, to efficiently solve multiscenario nonconvex mixed-integer nonlinear programming (MINLP) problems ... -
A new cross decomposition method for stochastic mixed-integer linear programming
(Elsevier BV, 2017-01-16)Two-stage stochastic mixed-integer linear programming (MILP) problems can arise naturally from a variety of process design and operation problems. These problems, with a scenario based formulation, lead to large-scale MILPs ... -
A new optimization model and a customized solution method for natural gas production network design and operation
(Wiley, 2017-03-01)This article proposes to tackle integrated design and operation of natural gas production networks under uncertainty, using a new two-stage stochastic programming model, a novel reformulation strategy, and a customized ... -
A multi-commodity flow formulation for the optimal design of wastewater treatment networks
(Elsevier BV, 2020-03-04)The wastewater treatment network (WWTN) optimization problem can be viewed as an extension of the generalized pooling problem (GPP), where not only the different streams are mixed and split, but also some chemical components ... -
Optimal Utilization of Natural Gas Pipeline Storage Capacity Under Future Supply Uncertainty
(Elsevier, 2020-05-07)The ability of pipelines to store gas by increasing their operating pressure, or linepacking, is a common operational practice used to mitigate future operational uncertainty. The optimal operation of a gas pipeline network ... -
Synthesizing Systems Biology Knowledge from Omics Using Genome‐Scale Models
(Wiley, 2020-06-24)Omic technologies have enabled the complete readout of the molecular state of a cell at different biological scales. In principle, the combination of multiple omic data types can provide an integrated view of the entire ... -
Electrokinetic Manipulation of the von Kármán Vortex Street in the Wake of a Confined Cylinder. I. DC Electric Field
(AIP Publishing, 2018-08-08)The present study is concerned with the numerical simulation of the pressure-driven flow around a confined cylinder subjected to a DC electric field. The flow situation differs from the conventional von Karm´ an vortex ... -
Optimized inkjet-printed silver nanoparticle films: theoretical and experimental investigations
(Royal Society of Chemistry, 2018-05-29)We study the influence of inkjet printing scheme and sintering parameter on the electrical resistivity of multi-layer silver nanoparticle films. A central composite Design Of Experiments (DOE) is employed to maximize ... -
Fabrication and characterization of a coplanar nickel-metal hydride microbattery equipped with a gel electrolyte
(Elsevier BV, 2019-02-28)The growing utilization of portable and autonomous micro devices results in a need for novel integrated power supplies with low power densities and energy contents. We report on a rechargeable thin-film microbattery which ... -
Structure of the Electrical Double Layer Revisited: Electrode Capacitance in Aqueous Solutions
(American Chemical Society (ACS), 2020-04-28)The structure of the electrical double layer at the interface of planar electrodes and aqueous solutions is investigated. Electrical impedance spectroscopy is used to measure the impedance of aqueous solutions of sodium ... -
Electrochemical investigation and modelling of LaNi4.77Al0.23 thin-films sputtered on glass wafers
(Elsevier BV, 2019-01-25)In the present work, we report on the microfabrication of metal hydride thin-film electrodes which can be utilized for rechargeable microbatteries or sensor applications. A multi-layer deposition technique is developed ... -
Charge and Electrical Double Layer Formation in a Nonpolar Solvent Using a Nonionic Surfactant
(American Chemical Society (ACS), 2020-05-19)In this work, we study the charge formation and the characteristics of the electrical double layer in a nonpolar medium using electrical impedance spectroscopy. To stabilize the free ionic species, a nonionic surfactant ...