Chemical Engineering Commons^™

Incorporation Of Catalytic Modalities For Forming Of A Catalytic Cascade, Albert T. Perry Iii

Nanoscience and Microsystems ETDs

This dissertation investigates the novel incorporation of inorganic and enzymatic catalysts. There is little literature on inorganic catalysts operating at biologically relevant pHs and as such a significant amount of this dissertation focuses on determination of catalyst activity. Mn amino-anitpyrene (MnAAPyr), Pt, Pt alloys, Mn-N-C and Pd catalysts on 3D graphene supports(3D-GNS), were explored for activity towards glycerol intermediates: oxalic acid, mesoxalic acid, glyoxalic acid, and formic acid. MnAAPyr was designed to mimic the reaction center of oxalate decarboxylase and oxalate oxidaze, the natural catalyst towards oxalic acid. It showed high activity towards oxalic acid, with onset potentials of 0.714±0.002V …

Experimental Study Of Low Salinity Water Flooding And Fracturing Effects In Low Permeability Carbonate Reservoir, Benny Arianto Harahap

Theses

In past decades, there were numerous research works demonstrated that salinity alteration of injected water could enhance the oil recovery. Low salinity water (LSW) injection is a type of Enhanced Oil Recovery (EOR) method, which attracts the industrial, and researchers because of its simplicity to use the implications,

Environment-friendly nature, and less cost. In addition to, hydraulic fracturing, also known as hydraulic stimulation, is another EOR method that improves hydrocarbon flow by creating fractures in the Low Permeability Formation (LPF) that connects the reservoir and wellbore. Fractures will increase the permeability of reservoir and give the flow path for hydrocarbon …

Ga And In Modified Ceria As A Support For Cobalt Fischer-Tropsch Synthesis, Muthu Kumaran Gnanamani, Gary Jacobs, Wilson D. Shafer, Michela Martinelli, Donald C. Cronauer, A. Jeremy Kropf, Christopher L. Marshall, Burtron H. Davis

Center for Applied Energy Research Faculty and Staff Publications

Ceria modified by the addition of gallium or indium (20 mol%) was used as a support for cobalt Fischer-Tropsch synthesis. The addition of gallium to ceria improved the CO conversion for cobalt, whereas indium tended to decrease it. A similar trend was observed with the Ag-promoted cobalt/ceria catalysts that were doped with Ga or In. For Ag promoted catalysts, doping with Ga or In decreased methane and increased the product selectivities of olefins and alcohols. The sum of olefins and alcohols in terms of product selectivity for the Ag-promoted catalysts decreased in the following order: Ag-Co/Ce-Ga > Ag-Co/Ce-In > Ag-Co/Ce. The H2-TPR-XANES …

Responsive Nanogel Probe For Ratiometric Fluorescent Sensing Of Ph And Strain In Hydrogels, Mingning Zhu, Dongdong Lu, Shanglin Wu, Qing Lian, Wenkai Wang, Amir H. Milani, Zhengxing Cui, Nam T. Nguyen, Mu Chen, L. Andrew Lyon, Daman J. Adlam, Anthony J. Freemont, Judith A. Hoyland, Brian R. Saunders

Engineering Faculty Articles and Research

In this study a new pH-responsive nanogel probe containing a complementary nonradiative resonance energy transfer (NRET) fluorophore pair is investigated and its ability to act as a versatile probe of network-related changes in three hydrogels demonstrated. Fluorescent sensing using NRET is a powerful method for studying relationships between Angstrom length-scale structure and macroscopic properties of soft matter. Unfortunately, inclusion of NRET fluorophores into such materials requires material-specific chemistry. Here, low concentrations of preformed nanogel probes were included into hydrogel hosts. Ratiometric photoluminescence (PL) data for the gels labeled with the nanogel probes enabled pH-triggered swelling and deswelling to be studied …

Development Of Novel N-Isopropylacrylamide (Nipaam) Based Hydrogels With Varying Content Of Chrysin Multiacrylate, Shuo Tang, Martha Floy, Rohit Bhandari, Thomas D. Dziubla, J. Zach Hilt

Chemical and Materials Engineering Faculty Publications

A series of novel temperature responsive hydrogels were synthesized by free radical polymerization with varying content of chrysin multiacrylate (ChryMA). The goal was to study the impact of this novel polyphenolic-based multiacrylate on the properties of N-isopropylacrylamide (NIPAAm) hydrogels. The temperature responsive behavior of the copolymerized gels was characterized by swelling studies, and their lower critical solution temperature (LCST) was characterized through differential scanning calorimetry (DSC). It was shown that the incorporation of ChryMA decreased the swelling ratios of the hydrogels and shifted their LCSTs to a lower temperature. Gels with different ChryMA content showed different levels of response to …

Constructing Slow Sand Filters: Engineering Students’ Experiences In San José De Playón, Bolívar, Colombia, Sol Park, Sanyukta Gokhale, Kaylyn Colinco

Purdue Journal of Service-Learning and International Engagement

Sol Park, Sanyukta Gokhale, and Kaylyn Colinco were members of a Global Design Team (GDT) involved in providing innovative solutions to drinking water treatment in rural areas of developing countries. The immediate goal of the GDT in May 2016 was to deliver large slow sand filters (SSFs) to a rural school in Colombia. The experience placed the students in a small town 80 km (~50 miles) south of Cartagena, Colombia, called San José de Playón. The town pumps water from the Arroyo Reservoir, which is then consumed by the citizens and students at the local school (the only one in …

Computational Materials Characterization, Discovery, And Design With High Performance Computing, Qunfei Zhou, Xiaotao Liu, Tyler Maxwell, Thomas John Balk, Matthew J. Beck

Commonwealth Computational Summit

No abstract provided.

High Octane Gasoline Using Renewable Aromatic Hydrocarbons, Wayne Seames, Malhar Khambete, Nahid Khatibi, Shelby Amsley-Benzie, Evguenii Kozliak, Darrin Muggli, Brian Tande

Chemical Engineering Faculty Publications

Background:

The replacement of leaded high octane aviation gasoline with an unleaded renewable alternative would decrease the emissions of lead and fossil-derived carbon into the atmosphere. Replacement has been limited by the requirement of a very high octane number in many existing general aviation aircraft engines.

Method:

Two separate process pathways were developed that generate an unleaded octane fuel with a motor octane number >96 from triglyceride oils (TGs), such as crop oils and algae oil. A series of experiments coupled with process simulations was used to verify the feasibility of both pathways and to provide preliminary laboratory scale data …

Copper Oxide Nanoparticles As A Highly Efficient Catalyst For Catalysis Applications, Hany A. Elazab Dr

Chemical Engineering

In this research, we have developed a reliable green method for the synthesis of copper oxide nanoparticles as a potential efficient catalyst for several catalysis applications. In our experimental approach, microwave-assisted synthesis technique was used in order to perform chemical reduction of copper salt using hydrazine hydrate as a strong reducing agent. The prepared catalyst was characterized using various techniques showing the formation of well dispersed copper oxide nanoparticles. The synthesized Copper oxide catalyst shows many advantages including the use of environmentally benign solvent systems, green synthetic approach, and mild reaction conditions.

Spontaneous Jumping, Bouncing And Trampolining Of Hydrogel Drops On A Heated Plate, Jonathan T. Pham, Maxime Paven, Sanghyuk Wooh, Tadashi Kajiya, Hans-Jürgen Butt, Doris Vollmer

Chemical and Materials Engineering Faculty Publications

The contact between liquid drops and hot solid surfaces is of practical importance for industrial processes, such as thermal spraying and spray cooling. The contact and bouncing of solid spheres is also an important event encountered in ball milling, powder processing, and everyday activities, such as ball sports. Using high speed video microscopy, we demonstrate that hydrogel drops, initially at rest on a surface, spontaneously jump upon rapid heating and continue to bounce with increasing amplitudes. Jumping is governed by the surface wettability, surface temperature, hydrogel elasticity, and adhesion. A combination of low-adhesion impact behavior and fast water vapor formation …

Thermodynamics Of Concentrated Solid Solution Alloys, Michael C. Gao, Chuan Zhang, Pan Gao, Fan Zhang, Lizhi Ouyang, Michael Widom, Jeffrey A. Hawk

Mathematical Sciences Faculty Research

This paper reviews the three main approaches for predicting the formation of concentrated solid solution alloys (CSSA) and for modeling their thermodynamic properties, in particular, utilizing the methodologies of empirical thermo-physical parameters, CALPHAD method, and first-principles calculations combined with hybrid Monte Carlo/Molecular Dynamics (MC/MD) simulations. In order to speed up CSSA development, a variety of empirical parameters based on Hume-Rothery rules have been developed. Herein, these parameters have been systematically and critically evaluated for their efficiency in predicting solid solution formation. The phase stability of representative CSSA systems is then illustrated from the perspectives of phase diagrams and nucleation driving …

Computational Modeling Of High-Entropy Alloys: Structures, Thermodynamics And Elasticity, Michael C. Gao, Pan Gao, Jeffrey A. Hawk, Lizhi Ouyang, David E. Alman, Mike Widom

Mathematical Sciences Faculty Research

This article provides a short review on computational modeling on the formation, thermodynamics, and elasticity of single-phase high-entropy alloys (HEAs). Hundreds of predicted single-phase HEAs were re-examined using various empirical thermo-physical parameters. Potential BCC HEAs (CrMoNbTaTiVW, CrMoNbReTaTiVW, and CrFeMoNbReRuTaVW) were suggested based on CALPHAD modeling. The calculated vibrational entropies of mixing are positive for FCC CoCrFeNi, negative for BCC MoNbTaW, and near-zero for HCP CoOsReRu. The total entropies of mixing were observed to trend in descending order: CoCrFeNi > CoOsReRu > MoNbTaW. Calculated lattice parameters agree extremely well with averaged values estimated from the rule of mixtures (ROM) if the same crystal …

Co2 Reduction Over Noble Metal/Carbon Nanotube Catalyst, Yuan Zhu

Dissertations

Carbon nanotube-based Pt/Pd and Ru catalysts, independently synthesized by a microwave reaction technique, show good catalytic activity for CO2 reduction in the contexts of dry reforming (DR) of methane (CH₄ + CO₂ -> 2CO + 2H₂) and reverse water gas shift (RWGS) (H2 + CO₂ -> CO + H₂O). Reaction temperatures range from 773 to 973 K, with system pressure at 30 psig. The feed molar ratios CH4/CO₂ and CO₂/H₂ are varied from 0.5 to 2.0. Reactant conversions in DR and RWGS are strongly influenced by temperature and feed …

Characterization Of Microporous Ectfe Membranes Exposed To Different Liquid Media And ?-Radiation And Nanoparticle Microfiltration Through Such Membranes, Na Yao

Dissertations

Microporous polymeric membranes are used in a variety of applications for separations, purification as well as barrier function. A major application is for microfiltration (MF). Changes in the properties of MF membranes exposed to acids, bases and organic solvents are of interest in semiconductor processing as well as in membrane contactor applications. Microfiltration membranes used for sterilization in beverage, biotechnology and pharmaceutical industries are sterilized by gamma radiation among others. Irradiation-induced degradation in membrane properties should be known. A variety of fluoropolymer-based microporous membranes are available with varying properties. Ethylene chlorotrifluoroethylene (ECTFE) membranes are a new addition and are of …

A Hierarchical Approach For Creating Electrically Conductive Network Structure In Polyurethane Nanocomposites Using A Hybrid Of Graphene Nanoplatelets, Carbon Black And Multi-Walled Carbon Nanotubes, Pashupati Pokharel, Dequan Xiao, Folarin Erogbogbo, Ozgur Keles, Dai Soo Lee

Chemistry and Chemical Engineering Faculty Publications

Hierarchical organization of carbon nanomaterials is the best strategy to combine desirable factors and synergistically impart mechanical and electrical properties to polymers. Here, we investigate the relaxation behavior of carbon nanofillers filled polyurethane (PU) with special reference to particle size and aspect ratio, filler morphology, filler loading to understand the conductive network formation of fillers in the PU matrix. Typically, an addition of 2 wt% hybrid fillers of graphene nanoplatelets (GNPs), conductive carbon black (CB) and multiwalled carbon nanotubes (MWCNTs) in PU at 1:1:2 mass ratio (GCM112-PU2) showed lowest surface resistivity ~10^6.8 ohm/sq along with highest improved mechanical properties. …

Vibration Modification To A.P.I. Fracture Short Term Conductivity Testing Procedure, Blake A. Ereaux

Graduate Theses & Non-Theses

The current API Short Term Fracture Conductivity (volume number) testing procedure provided by the American Petroleum Institute doesn't consistently provide repeatable results. For example, in an independent review of three commercial lab results testing the same sample of proppant the variation between the three had a data spread of nearly 80% (Anderson, 2013). Continuing and refocusing the research performed by Kent Blair's thesis "Modifying Fracture Conductivity Testing Procedures" (Montana Tech, 2015), the goal of this thesis is to expand the lab research results on the use of vibration in the cell loading procedure to improve the repeatability of test results. …

The Effect Of Mineral Composition On Shale Oil Recovery, Andrew Fakhry

Graduate Theses & Non-Theses

Identifying contact angles in porous media is essential for characterizing multiphase flow of fluids in reservoirs. Traditional methods to measure contact angles assume a homogenous structure of reservoir rock; however, microscale pictures by Scanning Electron Microscopes (SEM) show that rock composition varies even inside a single pore. In addition, the preferentiality of oil layer formation is different according to the minerals constituting the reservoir rock. As a result, contact angles have heterogeneous behavior at the pore-scale.

For the purpose of this research, contact angles are measured on the pure minerals that make up the main components of a Bakken reservoir …

Evaluation Of Methods To Model Hydraulic Fractures In Flow Simulation, Ben Doleshal

Graduate Theses & Non-Theses

Modern reservoir studies use reservoir simulation to predict future production and plan reservoir development. Due to the increase in production in unconventional reservoirs in recent years, the number of hydraulically fractured wells has risen drastically. The days of using simple analytic techniques to account for the production of a single hydraulic fracture in a vertical well are gone, and the need to be able to model numerous hydraulic fractures in many stages over long horizontals is required.

This brings up the study question of this research: What is the best way to model hydraulic fractures in a flow simulator? There …

Role Of Surface Factors On Heterogeneous Ice Nucleation, Brittany Glatz

All Dissertations

Heterogeneous ice nucleation is the primary pathway for ice formation. However, the detailed molecular mechanisms by which surfaces promote or hinder ice nucleation are not well understood. We present results from extensive molecular dynamics and forward flux sampling (FFS) simulations of ice nucleation near modified surfaces. The surfaces are modified to investigate the effects of different surface factors on the rate and mechanism of ice nucleation. We find that the surface charge distribution has significant effects on ice nucleation. We also investigate the interplay of surface lattice and hydrogen bonding properties in affecting ice nucleation. We find that lattice matching …

Tuning Properties Of Poly(Ethylene Glycol)-Block-Poly(Simvastatin) Copolymers Synthesized Via Triazabicyclodecene, Theodora A. Asafo-Adjei, Thomas D. Dziubla, David A. Puleo

Biomedical Engineering Faculty Publications

Simvastatin was polymerized into copolymers to better control drug loading and release for therapeutic delivery. When using the conventional stannous octoate catalyst in ring-opening polymerization (ROP), reaction temperatures ≥ 200 °C were required, which promoted uncontrollable and undesirable side reactions. Triazabicyclodecene (TBD), a highly reactive guanidine base organocatalyst, was used as an alternative to polymerize simvastatin. Polymerization was achieved at 150 °C using 5 kDa methyl-terminated poly(ethylene glycol) (mPEG) as the initiator. ROP reactions with 2 kDa or 550 Da mPEG initiators were also successful using TBD at 150 °C instead of stannous octoate, which required a higher reaction temperature. …