Chemical Engineering Commons^™

Stabilizing Electrochemical Carbon Capture Membrane With Al2O3 Thin-Film Overcoating Synthesized By Chemical Vapor Deposition, Jingjing Tong, Fengzhan Si, Lingling Zhang, Jie Fang, Minfang Han, Kevin Huang

Faculty Publications

Development of high-efficiency and cost-effective carbon capture technology is a central element of our effort to battle the global warming and climate change. Here we report that the unique high-flux and high-selectivity of electrochemical silver-carbonate dual-phase membranes can be retained for an extended period of operation by overcoating the surfaces of porous silver matrix with a uniform layer of Al₂O₃ thin-film derived from chemical vapor deposition.

Model For The Evolution Of Pore Structure In A Lignite Particle During Pyrolysis, Sufen Li, He Yang, Thomas H. Fletcher, Ming Dong

Faculty Publications

In this paper, on the basis of the chemical percolation devolatilization (CPD) model and using the coal polymer network parameters to calculate the surface area and porosity of the particle, a model for the evolution of pore structure in a lignite particle during pyrolysis is established. The model connects the polymer network structure and the pore structure, and it may extend the application range of network statistical devolatilization models. Model predictions agree with experimentally observed trends reported in the literature for porosity and internal surface area with increasing mass release. Particle porosity increases during pyrolysis because of mass release and …

Insights From A Global Engineering Outreach Course, Randy S. Lewis

Faculty Publications

A two-semester multi-disciplinary Global Engineering Outreach (GEO) course was initiated in 2007 to provide an opportunity for junior and senior-level engineering and technology students to design and implement humanitarian-based engineering projects in developing communities. Recently, the course was integrated with a sociology course to enhance the educational opportunities between social scientists and engineers. During the GEO course, students work on small-scale projects that are selected in conjunction with members of the developing communities. Students regularly interact with community members during project development. Following the GEO course, students participate in a two-week implementation trip. Learning outcomes associated with the course are …

Hydrodynamics Of Dna Confined In Nanoslits And Nanochannels, K. D. Dorfman, D. Gupta, A. Jain, Douglas R. Tree

Faculty Publications

Modeling the dynamics of a confined, semiflexible polymer is a challenging problem, owing to the complicated interplay between the configurations of the chain, which are strongly affected by the length scale for the confinement relative to the persistence length of the chain, and the polymer-wall hydrodynamic interactions. At the same time, understanding these dynamics are crucial to the advancement of emerging genomic technologies that use confinement to stretch out DNA and “read” a genomic signature. In this mini-review, we begin by considering what is known experimentally and theoretically about the friction of a wormlike chain such as DNA confined in …

Application Of Multivariate Analysis Techniques To Safeguards Of The Electrochemical Treatment Of Used Nuclear Fuel, Devin Rappleye, Sang-Mun Jeong, Michael Simpson

Faculty Publications

Several countries have shown interest in developing the electrochemical treatment of used nuclear fuel (UNF), commonly termed pyroprocessing. From a proliferation perspective, an advantage of pyroprocessing is its inability to isolate pure plutonium. However, because plutonium is present in the process, it needs to be effectively safeguarded to protect against diversion of plutonium-containing materials that could be post-processed elsewhere. The most complicated unit to safeguard in the process is the electrorefiner where UNF is chemically separated into several material entities. Molten LiCl–KCl serves as the electrolyte into which actinides (including uranium and plutonium), rare earths, and other active metals from …

Simultaneous Conversion Of All Cell Wall Components By Oleaginous Fungus Without Chemi-Physical Pretreatment, Shangxian Xie, Xin Qin, Yanbing Cheng, Dhrubojyoti Laskar, Weichuan Qiao, Su Sun, Luis Reyes, Xin Wang, Susan Dai, Scott Sattler, Katy Kao, Bin Yang, Xiaoyu Zhang, Joshua Yuan

Faculty Publications

Lignin utilization during biomass conversion has been a major challenge for lignocellulosic biofuel. In particular, the conversion of lignin along with carbohydrate for fungible fuels and chemicals will both improve the overall carbon efficiency and reduce the need for chemical pretreatments. However, few biomass-converting microorganisms have the capacity to degrade all cell wall components including lignin, cellulose, and hemicellulose. We hereby evaluated a unique oleaginous fungus strain, Cunninghamella echinulata FR3, for its capacity to degrade lignin during biomass conversion to lipid, and the potential to carry out consolidated fermentation without chemical pretreatment, especially when combined with sorghum (Sorghum bicolor) bmr …

Backfolding Of Wormlike Chains Confined In Nanochannels, Abhiram Muralidhar, Douglas R. Tree, Kevin D. Dorfman

Faculty Publications

Using pruned-enriched Rosenbluth method (PERM) simulations of a discrete wormlike chain model, we provide compelling evidence in support of Odijk’s prediction of two distinct Odijk regimes for a long wormlike chain confined in a nanochannel. In both cases, the chain of persistence length lp is renormalized into a series of deflection segments of characteristic length D2/3lp1/3, where D is the channel size. In the first (classic) Odijk regime, these deflection segments are linearly ordered. In the second Odijk regime, thin, long wormlike chains can backfold at a length scale quantified by the global persistence length. We …

Nonlinear Modeling, Estimation And Predictive Control In Apmonitor, John Hedengren, Reza Asgharzadeh Shishavan, Kody M. Powell, Thomas F. Edgar

Faculty Publications

This paper describes nonlinear methods in model building, dynamic data reconciliation, and dynamic optimization that are inspired by researchers and motivated by industrial applications. A new formulation of the ℓ₁-norm objective with a dead-band for estimation and control is presented. The dead-band in the objective is desirable for noise rejection, minimizing unnecessary parameter adjustments and movement of manipulated variables. As a motivating example, a small and well-known nonlinear multivariable level control problem is detailed that has a number of common characteristics to larger controllers seen in practice. The methods are also demonstrated on larger problems to reveal algorithmic …

Investigating The Release Mechanism Of Calcein From Eliposomes At Higher Temperatures, Ghaleb A. Husseini, William G. Pitt, Jacob B. Williams, Marjan Javadi

Faculty Publications

Numerous nanocarriers are currently being investigated as drug delivery vehicles for transporting chemotherapeutics to cancer cells. Our research group has recently synthesized a new generation of echogenic liposomes based on the concept of encapsulating one or more nanoemulsion droplets inside a liposome (called an “eLiposome”). The concept is to use a nanoemulsion droplet with a low boiling point near body temperature, thus requiring only a small acoustic nudge to vaporize the droplet from liquid to gas and break open the eLiposome, thus releasing its contents. The purpose of this note is twofold. First, we wanted to show experimentally that eLiposomes …

Particle Dispersion In Homogeneous Turbulence Using The One-Dimensional Turbulence Model, Guangyuan Sun, David O. Lignell, John C. Hewson, Craig R. Gin

Faculty Publications

Lagrangian particle dispersion is studied using the one-dimensional turbulence (ODT) model in homogeneous decaying turbulence configurations. The ODT model has been widely and successfully applied to a number of reacting and nonreacting flow configurations, but only limited application has been made to multiphase flows. Here, we present a version of the particle implementation and interaction with the stochastic and instantaneous ODT eddy events. The model is characterized by comparison to experimental data of particle dispersion for a range of intrinsic particle time scales and body forces. Particle dispersion, velocity, and integral time scale results are presented. The particle implementation introduces …

Development Of Ultrasound Sensitive Eliposomes Containing Doxorubicin For Drug Delivery, Chung-Yin Lin, William G. Pitt, Kuo-Chen Wei

Faculty Publications

Aims: A novel nanocarrier was formulated by remote loading of doxorubicin (Dox) into a dipalmitoylphosphatidylcholine (DPPC) liposome that also contains various perfluorocarbon (PFC) droplets within its aqueous interior. It was shown that Dox can be loaded to a level of up to 67% into these large unilamellar vesicles composed of DPPC and cholesterol by employing a transmembrane pH gradient technique.

Methods: The different encapsulation efficiencies for these eLipoDox constructs of differing PFC composition are 45.5% (PFC5), 31.5% (PFC6) and 66.7% (PFC5/PFC6 mixture, PFCm). At 30 seconds of insonation, the eLipoDox formulation with PFCm droplets appeared to release more Dox than …

Investigating The Stability Of Eliposomes At Elevated Temperatures, Ghaleb A. Husseini, William G. Pitt, Marjan Javadi

Faculty Publications

eLiposomes encapsulate a perfluorocarbon nanoemulsion droplet inside a liposome. Ultrasound is then used as a trigger mechanism to vaporize the perfluorocarbon, break the liposome, and release the desired drug to the tumor tissue. The purpose of this research is to show that eLiposomes synthesized using perfluoropentane are stable above the normal boiling point of the perfluoropentane and at body temperature and thus has potential for use in vivo. Experiments involving the release of fluorescent calcein molecules were performed on eLiposomes to measure the release of calcein at various temperatures in the absence of ultrasound. Results showed that eLiposomes are stable …

Investigating The Stability Of Eliposomes At Elevated Temperatures, Ghaleb A. Husseini, William G. Pitt, Marjan Javadi

Faculty Publications

eLiposomes encapsulate a perfluorocarbon nanoemulsion droplet inside a liposome. Ultrasound is then used as a trigger mechanism to vaporize the perfluorocarbon, break the liposome, and release the desired drug to the tumor tissue. The purpose of this research is to show that eLiposomes synthesized using perfluoropentane are stable above the normal boiling point of the perfluoropentane and at body temperature and thus has potential for use in vivo. Experiments involving the release of fluorescent calcein molecules were performed on eLiposomes to measure the release of calcein at various temperatures in the absence of ultrasound. Results showed that eLiposomes are stable …

Influence Of Crystal Structure On The Electrochemical Performance Of A-Site-Deficient Sr 1-Xnb 0.1 Co 0.9 O 3-Δ Perovskite Cathodes, Yinlong Zhu, Ye Lin, Xuan Shen, Jaka Sunarso, Wei Zhou, Shanshan Jiang, Dong Su, Fanglin Chen, Zongping Shao

Faculty Publications

The creation of A-site cation defects within a perovskite oxide can substantially alter the structure and properties of its stoichiometric analogue. In this work, we demonstrate that by vacating 2 and 5% of A-site cations from SrNb_0.1Co_0.9O_3−δ (SNC1.00) perovskites (Sr_1−sNb_0.1Co_0.9O_3−δ, s = 0.02 and 0.05; denoted as SNC0.98 and SNC0.95, respectively), a Jahn–Teller (JT) distortion with varying extents takes place, leading to the formation of a modified crystal lattice within a the perovskite framework. Electrical conductivity, electrochemical performance, chemical compatibility and microstructure of Sr …

Communication: Using Multiple Tethers To Stabilize Proteins On Surfaces, Brandon K. Loong, Thomas A. Knotts Iv

Faculty Publications

Protein surface interactions are important in many applications in biotechnology including protein arrays, but these technologies have not lived up to their transformative potential because it is difficult to attach proteins to surfaces in a manner that preserves function and theoretical understanding of the relevant phenomena remains limited. Here is reported the effect of using multiple tethers to attach a protein (lysozyme) to a surface and the effects on the structure and stability of the molecule. The simulations show how using two tethers can drastically change the folding mechanism such that a protein that is initially unstable and inactive when …

Catalytic Performance Of An Iron-Based Catalyst In Fischer–Tropsch Synthesis, Majid Sarkari, Farhad Fazlollahi, Hossein Ajamein, Hossein Atashi, William C. Hecker, Larry L. Baxter

Faculty Publications

This paper documents the performance and kinetics of an iron/manganese oxide catalyst in a fixed-bed reactor by Fischer–Tropsch synthesis (FTS) under conditions favoring the formation of gaseous and liquid hydrocarbons (P: 1–12 bar; T: 513–543 K; H2/CO:1, 1.5, 2 mol/mol; gas hourly space velocity: 4200–7000 cm3 (STP)/h/gcat). Based on the hypothesis that water inhibits the intrinsic FTS reaction rate, eight kinetic models are considered: six variations of the Langmuir–Hinshelwood–Hougen–Watson representation and two empirical power-law models. The kinetic expression/mechanism that most precisely fits the data assumes the following: (1) CO dissociation is reversible and does not involve hydrogen; (2) all hydrogenation …

Comparison Of One-Dimensional Turbulence And Direct Numerical Simulations Of Soot Formation And Transport In A Nonpremixed Ethylene Jet Flame, David O. Lignell, Garrison C. Fredline, Adam D. Lewis

Faculty Publications

Accurate models of soot formation in turbulent flames are important for correctly predicting and simulating flames and fires. Modeling soot formation and transport is challenging due to the complex chemical formation processes, and differential diffusion of soot relative to a flame. Direct numerical simulations (DNS) have highlighted the importance of such transport on soot concentrations, however DNS is computationally expensive. The one-dimensional turbulence (ODT) model is able resolve a full range of length and timescales and solves the evolution of diffusive and reactive scalars in the natural physical coordinate. We present results of soot formation in ODT and compare the …

Simulation And Analysis Of Inhomogeneous Degradation In Large Format Limn2O4/ Carbon Cells, Yiling Dai, Long Cai, Ralph E. White

Faculty Publications

Degradation phenomena are not distributed uniformly in a large-format cell. To better understand the inhomogeneous degradation in large-format cells, a two-dimensional model was developed for a LiMn₂O₄ (LMO)/Carbon cell. The model includes both the non-uniform porous electrode properties and the electrode mismatch. The simulation results show that when the anode edge is extended over the cathode edge, the LMO particles near the edge suffer larger potential difference, larger charge/discharge depth, and higher insertion-induced stress. Therefore, the predicted loss of LMO is more pronounced near the edge as has been seen experimentally. The influence of different design adjustable …

New Advances In Post-Installed Subsea Monitoring Systems For Structural And Flow Assurance Evaluation, Reza Asgharzadeh Shishavan, David Brower, John Hedengren, Alexis Brower

Faculty Publications

An overview of fiber optic sensors for temperature, pressure, strain, and fatigue of subsea structures is provided. Current progress details efforts to ensure proper installation and bonding to existing risers, flow-lines, mooring lines, trees, and other structures in actual subsea environments. Developments include clamp prototypes, bonding techniques, long-term fatigue analysis, sensor calibration, and temperature compensation. Fiber optic technology in subsea monitoring began over 20 years ago by migrating expertise from decommissioning of rocket motors. The first installations were on new installations of subsea pipelines, production risers, and drilling risers to measure strain and vibration for fatigue life monitoring. Of particular …

The Odijk Regime In Slits, Douglas R. Tree, Wesley F. Reinhart, Kevin D. Dorfman

Faculty Publications

De Gennes’ blob theory has been remarkably successful at describing weakly confined polymers in both slits and channels, and comparable results surround Odijk’s theory of deflection segments for strongly confined wormlike polymers in nanochannels. However, given the success of Odijk’s theory in channels, it is remarkable that there is no comprehensive theory for the simple case of a wormlike polymer strongly confined between two parallel plates. We propose such a theory by drawing inspiration from the existing literature on ideal wormlike chains in slits and Daoud and de Gennes’ idea of mapping a slit-confined chain to a two-dimensional chain. We …

Kinetic Modeling Of Self-Hydrolysis Of Aqueous Nabh4 Solutions By Model-Based Isoconversional Method, Rajasree Retnamma, A. Q. Novais, C. M. Rangel, Lin Yu, Michael A. Matthews

Faculty Publications

The present work reports the kinetic modeling of self-hydrolysis of non-buffered, non-stabilized NaBH4 solutions by model-based isoconversional method. The overall kinetics is described by a „reaction-order‟ model in a practical operating window of 10-20 wt% NaBH4 solutions at 25-80 C and 0-50% conversions. The apparent activation energy and pre-exponential factor are interrelated through a kinetic compensation effect (KCE). The apparent reaction order remains constant at a given temperature irrespective of extent of conversion and decreases with increase in temperature. It decreases from firstorder to 0.26 with increase in temperature from 25 to 80 C. The apparent activation energy is found …

Field Application Of Accelerated Mineral Carbonation, Brandon Reynolds, K. J. Reddy, Morris D. Argyle

Faculty Publications

Globally, coal-fired power plants are the largest industrial source of carbon dioxide (CO₂). CO₂ emissions from flue gas have potential for direct mineralization with electrostatic precipitator fly ash particles in the field. Demonstration scale accelerated mineral carbonation (AMC) studies were conducted at the Jim Bridger Power Plant, a large coal fired power plant located in Wyoming, USA. AMC produces kinetically rapid conditions for increased rates of mineralization of CO₂, sulfur dioxide (SO₂) and mercury (Hg) on fly ash particles. Control and AMC reacted fly ash particles were investigated for: change in carbon (expressed …

A Reactor Model For Hydrogen Generation From Sodium Borohydride And Water Vapor, Lin Yu, Michael A. Matthews

Faculty Publications

This paper reports new data on the production of hydrogen from water vapor plus NaBH4, or NaBH4 þ 10% CoCl2. Data were collected with the aid of an isothermal semi-batch reactor with in-situ H2 rate measurement. The reaction of NaBH4 to generate H2 proceeds via three steps: deliquescence, dissolution and reaction. The deliquescence regime of NaBH4 in the presence of 10 weight percent CoCl2 is defined. The H2 yield is quantified at various reaction conditions (reaction temperature 70-120 C, relative humidity 31-69%). CoCl2 significantly accelerates the rate of H2 production compared to deliquescence + reaction of pure NaBH4. It is …

Theoretical Framework For Multiple-Polymorph Particle Precipitation In Highly Supersaturated Systems, B. B. Schroeder, D. D. Harris, S. T. Smith, D. O. Lignell

Faculty Publications

An overarching mathematical framework is proposed to describe entire mineral particle precipitation processes, including multiple polymorphic forms and ranges of temperatures. While existing models portray individual physical phenomena, the presented approach incorporates a diverse set of the physical phenomena simultaneously within a single mathematical description. The liquid and solid phase dynamics interact through coupling an aqueous ionic equilibrium-chemistry model with a set of population balance equations and a mixing model. Including the particle physical phenomena, nucleation, growth, dissolution, and aggregation together within a single framework allows for the exploration of nonintuitive and nontrivial coupling effects. To validate the proposed framework, …

Phase Transitions Of Perfluorocarbon Nanoemulsion Induced With Ultrasound: A Mathematical Model, William G. Pitt, Ram N. Singh, Krystian X. Perez, Ghaleb A. Husseini, Daniel R. Jack

Faculty Publications

While ultrasound has been used in many medical and industrial applications, only recently has research been done on phase transformations induced by ultrasound. This paper presents a numerical model and the predicted results of the phase transformation of a spherical nanosized droplet of perfluorocarbon in water. Such a model has applications in acoustic droplet vaporization, the generation of gas bubbles for medical imaging, therapeutic delivery and other biomedical applications. The formation of a gas phase and the subsequent bubble dynamics were studied as a function of acoustic parameters, such as frequency and amplitude, and of the physical aspects of the …

Interplay Between Chain Stiffness And Excluded Volume Of Semiflexible Polymers Confined In Nanochannels, Abhiram Muralidhar, Douglas R. Tree, Yanwei Wang, Kevin D. Dorfman

Faculty Publications

The properties of channel-confined semiflexible polymers are determined by a complicated interplay of chain stiffness and excluded volume effects. Using Pruned-Enriched Rosenbluth Method (PERM) simulations, we study the equilibrium properties of channel-confined polymers by systematically controlling chain stiffness and excluded volume. Our calculations of chain extension and confinement free energy for freely jointed chains with and without excluded volume show excellent agreement with theoretical predictions. For ideal wormlike chains, the extension is seen to crossover from Odijk behavior in strong confinement to zero-stretching, bulk-like behavior in weak confinement. In contrast, for self-avoiding wormlike chains, we always observe that the linear …

Preparation Of Radiation-Grafted Powders For Use As Anion Exchange Ionomers In Alkaline Polymer Electrolyte Fuel Cells, Simon D. Poynton, Robert C. T. Slade, Travis J. Omasta, William E. Mustain, Ricardo Escudero-Cid, Pilar Ocón, John R. Varcoe

Faculty Publications

A novel alkaline exchange ionomer (AEI) was prepared from the radiation-grafting of vinylbenzyl chloride (VBC) onto poly(ethylene-co-tetrafluoroethylene) [ETFE] powders with powder particle sizes of less than 100 μm diameter. Quaternisation of the VBC grafted ETFE powders with trimethylamine resulted in AEIs that were chemically the same as the ETFE-based radiation-grafted alkaline anion exchange membranes (AAEM) that had been previously developed for use in low temperature alkaline polymer electrolyte fuel cells (APEFC). The integration of the AEI powders into the catalyst layers (CL) of both electrodes resulted in a H2/O2 fuel cell peak power density of 240 mW cm−2 …

A Dns Evaluation Of Mixing Models For Transported Pdf Modelling Of Turbulent Nonpremixed Flames, Alex Krisman, Joshua C.K. Tang, Evatt R. Hawkes, David O. Lignell, Jacqueline H. Chen

Faculty Publications

Transported probability density function (TPDF) methods are well suited to modelling turbulent, reacting, variable density flows. One of the main challenges to the successful deployment of TPDF methods is accurately modelling the unclosed molecular mixing term. This study examines three of the most widely used mixing models: the Interaction by Exchange with the Mean (IEM), Modified Curl (MC) and Euclidean Minimum Spanning Tree (EMST) models. Direct numerical simulation (DNS) data-sets were used to provide both initial conditions and inputs needed over the course of the runs, including the mean flow velocities, mixing frequency, and the turbulent diffusion coefficient. The same …

Modulation Of Leukocyte Infiltration And Phenotype In Microporous Tissue Engineering Scaffolds Via Vector Induced Il-10 Expression, R. Michael Gower, Ryan M. Boehler, Samira M. Azarin, Christine F. Ricci, Joshua N. Leonard, Lonnie D. Shea

Faculty Publications

Biomaterial scaffolds are central to many tissue engineering strategies as they create a space for tissue growth and provide a support for cell adhesion and migration. However, biomaterial implantation results in unavoidable injury resulting in an inflammatory response, which can impair integration with the host and tissue regeneration. Toward the goal of reducing inflammation, we investigated the hypothesis that a lentiviral gene therapy-based approach to localized and sustained IL-10 expression at a scaffold could modulate the number, relative proportions, and cytokine production of infiltrating leukocyte populations. Flow cytometry was used to quantify infiltration of six leukocyte populations for 21 days …

Characterization Of Macromolecular Structure Elements From A Green River Oil Shale, I. Extracts, Mark S. Solum, Charles L. Mayne, Anita M. Orendt, Ronald J. Pugmire, Jacob Adams, Thomas H. Fletcher

Faculty Publications

This paper is the first of two associated papers describing the structural details of three sections of an oil shale core taken at the Skyline 16 mine in the Utah Uinta Basin. Bitumen was extracted from the shale using methanol/dichloromethane. Kerogen was isolated from the shale, using a nine-step extraction procedure using HCl and HF. Bitumen samples from the three cores were analyzed using high-resolution ¹³C NMR liquid-state spectroscopy, showing carbon aromaticities of 7%−11%. Aliphatic carbons were dominated by methylene structures, with average aliphatic chain lengths of 24 carbons. The three parent shales and the demineralized kerogens were each …