Chemical Engineering Commons^™

Effect Of Expanded Perlite And Exfoliated Vermiculite Aggregate Additives On Water Vapor Permeability Performance Of Cement-Based Lightweight Mortars, Lütfullah Gündüz, Şevket Onur Kalkan

Journal of Sustainable Construction Materials and Technologies

Vapor diffusion is the movement of water vapor molecules through porous materials such as wood, insulation products, and lightweight wall elements due to differences in vapor pressure. Vapor retarders are used to control vapor diffusion through wall sections and surfaces. All building materials provide some resistance to vapor diffusion, and the amount of resistance varies depending on the material's properties. These properties can vary with relative humidity and moisture content, age, temperature, and other factors. Vapor resistance is usually expressed using the inverse term of ``vapor permeability,'' which is the relative ease of vapor diffusion through a material. Water vapor …

Determination Of Binary Co2/H2 Adsorption Isotherms And Kinetics Over Porous Organic Cage Cc3 Via Zero-Length Column Technique, Jimmy D.L. Moreno, Kyle Newport, Ali A. Rownaghi, Fateme Rezaei

Chemical and Biochemical Engineering Faculty Research & Creative Works

Understanding the dynamics of mixed-gas adsorption is essential for industrial-scale adsorptive separations. Also, obtaining binary adsorption isotherms is essential to gain a better understanding of adsorbate-adsorbent interactions in multicomponent gas mixtures. Porous organic cages (POCs) are highly porous, crystalline materials, with a small average pore window that make them promising candidates for separation applications. In this work, we utilized zero-length column (ZLC) technique to not only determine the kinetics of CO₂/H₂ separation over CC3 but also obtain the binary adsorption isotherms. The ultra crystalline diffusivities of 1.49 x 10^–4 and 8.31 x 10^–5 cm^{2 …}

Model To Demonstrate Effects Of Mass Transfer And Applied Current In An Electrolytic Cell, George Ankrah

Reviews, Analyses, and Instructional Studies in Electrochemistry (RAISE)

This study investigates the relationship between applied current and resulting cell potential in an electrolytic system, considering the transport of electroactive species. By applying Michael Faraday's laws of electrolysis and the Nernst-Planck equation, the behavior of electroactive species in diffusion-controlled systems with and without stirring is modeled. The plots demonstrate how stirring enhances ion transport and establishes a stable Nernst diffusion layer, affecting the kinetics of electrochemical reactions. Understanding these dynamics is crucial for optimizing electrolysis processes.

Modeling Studies Of An Intensified Reforming/Fischer-Tropsch Synthesis Process For Gas To Liquid Conversion, Brian Gray

USF Tampa Graduate Theses and Dissertations

Despite rigorous study and advancement in fields of green energy, the world's transportation industry remains poised to continue reliance on liquid hydrocarbon fuels. To date, the primary source of diesel and jet fuels is the petroleum industry; however, continuing trends in rising greenhouse gas emissions present a need for study into processes for the production of synthetic hydrocarbon fuels. The most promising technologies to meet this goal are gas-to-liquid (GtL), biomass-to-liquid (BtL) and coal-to-liquid (CtL). The commonality of these technologies is that they utilize a feedstock to produce carbon monoxide and hydrogen gas (syngas) which becomes the building blocks of …

Utilization Of Caputo Fractional Derivative In Mhd Nanofluid Flow With Soret And Thermal Radiation Effects, Harshad Patel, Gopal Nanda

Applications and Applied Mathematics: An International Journal (AAM)

In existence of heat diffusion and thermal radiation, an analytical equation is found for unsteady MHD flow past an exponentially accelerating vertical plate in optically thick water based nanofluid. The governing equations are made dimensionless by similarity transformation. A definition of Caputo fractional derivative is applied to generalize governing system of partial differential equations. Laplace transform techniques are applied and obtained the analytical solutions of proposed problems. For a physical point of view, numerical results are obtained using MATLAB software and presented via graphs. From the results, it is concluded that magnetic fields tend to reduce velocity. It is also …

Nonsolvent-Induced Phase Separation Inside Liquid Droplets, Rami Alhasan, Tanner A. Wilcoxson, Dakota S. Banks, Sion Jung, Douglas R. Tree

Faculty Publications

Nonsolvent-induced phase separation (NIPS) is a popular method for creating polymeric particles with internal microstructure, but many fundamental questions remain surrounding the kinetics of the complex coupled mass transfer and phase separation processes. In this work, we use simulations of a phase-field model to examine how (i) finite domain boundaries of a polymer droplet and (ii) solvent/nonsolvent miscibility affect the NIPS process. To isolate the effects of phase separation kinetics and solvent/nonsolvent mass transfer on the NIPS process, we study two different cases. First, we investigate droplet concentrations that originate inside the two-phase region, where phase separation kinetics alone governs …

Effects Of Confinement On Ionic Liquids And Deep Eutectic Solvents For The Design Of Catalytic Systems, Electrochemical Devices, And Separations, Andrew Drake

Theses and Dissertations--Chemical and Materials Engineering

Confinement of ionic liquids (ILs) and deep eutectic solvents (DESs) within mesoporous materials such as silica helps to control the local environment within the pores for applications such as catalysis, electrochemistry, and absorption. Silica thin films with 2.5 and 8 nm pores and micron-sized silica particles with pore diameters of 5.4 and 9 nm were synthesized to study the effect of nanoconfinement on ILs 1-butyl-3-methylimidazolium hexafluorophosphate ([BMIM][PF₆]), 1-butyl-3-methylimidazolium chloride ([BMIM][Cl]), and DESs reline and ethaline (choline chloride and urea or ethylene glycol). Silica thin films with vertically aligned, well ordered, and accessible pores were synthesized via the evaporation-induced …

Higher Corrections Of The Ilkovich Equation, S. Jon Chapman, Charles W. Monroe, Shiv Krishna Madi Reddy, Alexander Van-Brunt, Ralph E. White

Faculty Publications

A short-time asymptotic analysis is performed to establish corrections of the Ilkovich equation, which describes the polarographic response of a dropping mercury electrode. The convective diffusion equation governing diffusion limited reactant flux for small drop times is solved by a regular perturbation based on powers of the sixth root of time. This produces a framework within which higher terms of the Ilkovich equation can be derived systematically. As well as reproducing Ilkovich’s original formula and verifying Newman’s correction of Koutecky’s first-order term, we calculate the second-order term for the first time. The calculation is compared to the Newman–Levich procedure and …

Sustainable Material For Urea Delivery Based On Chitosan Cross-Linked By Glutaraldehyde Saturated Toluene: Characterization And Determination Of The Release Rate Mathematical Model, Jayanudin Jayanudin, Retno S. D. Lestari, Indar Kustiningsih, Dandi Irawanto, Rozak Rozak, Reyonaldo L. A. Wardana, Fakhri Muhammad

Karbala International Journal of Modern Science

The aims of this study were to characterize the urea-loaded chitosan microspheres and determine the release kinetic constants and diffusion coefficients. An emulsion cross-linking method was used to prepare the urea-loaded chitosan microspheres. Urea was dissolved in a solution of chitosan then put into vegetable oil and stirred to form an emulsion. Glutaraldehyde saturated toluene (GST) was added into the emulsion dropwise while continuously stirring for the solidification process. Chitosan microspheres filled with urea were washed, dried, and then analyzed. Characterization of the urea-loaded chitosan microspheres was conducted using a scanning electron microscope (SEM), Raman spectroscopy, X-ray diffraction, and particle …

Mathematical Model For Sei Growth Under Open-Circuit Conditions, Shiv Krishna Madi Reddy, Wei Shang, Ralph E. White

Faculty Publications

A solid electrolyte interphase (SEI) growth model is developed in a mixed mode that contains solvent diffusion through the SEI layer and corresponding solvent reduction kinetics at the SEI/electrode interface. The governing equations are solved by the Landau transformation, which makes the moving layer fixed to predict the open circuit potential, SEI layer thickness, and capacity loss. The estimated parameters fitted with experimental data from the literature are computed using COMSOL and MATLAB. Results show that the mixed mode model predicts lower capacity loss and thinner SEI layer due to its growth under open circuit conditions than previously reported by …

A Detailed Parameter Study Into The Dermal Absorption Of Chemical Warfare Agents And The Effects Of Pharmacokinetics, Koko Lear

Theses

Chemical warfare agents (CWAs) are substances of varying toxicity profiles. These chemicals exhibit complex dynamics and pose a serious health risk when released into the environment. A mathematical model based on Fick’s second law of diffusion was developed to comprehend how these compounds were absorbed into the skin. The analysis applied to both small and large doses and, successfully, predicted experimental results. This work also includes the effects of CWA physicochemical properties on evaporation and dermal absorption through the stratum corneum. A sensitivity analysis was conducted to assess the impacts of small variations in the initial dose, environmental conditions, and …

Diffusion Of A Salt In An Aqueous Media, Aldaly Pineda Hernandez

Chemical Engineering Undergraduate Honors Theses

Diffusion is defined as the net transfer of a molecule from a high concentration region to a low concentration region. The concept of diffusion is used in a very important process called "desalination." Desalination is a separation process used to reduce the salt content dissolved in brackish water to make it suitable for human consumption, irrigation, and industrial use.

In desalination plants, it is important to monitor the constantly changing salt content of water, partly due to the diffusive effect. The main purpose of this experiment was to study the diffusion of NaCl in water at two NaCl concentrations. The …

Enhanced Oil Recovery In Tight Rocks Using The “Slot-Drill” Completion, Hassan Amer

LSU Master's Theses

Enhanced oil recovery (EOR) is essential in shale/tight formations because primary recovery typically produces less than 10% of the original hydrocarbon in-place (OHIP). This work presents a novel “slot-drill” EOR technology, which involves injecting gas through a horizontal fracture that is cut into the formation near the top of the reservoir (using a tensioned abrasive cutting cable mounted to the drillstring) and producing oil from a second slot-drilled horizontal fracture near the bottom of the reservoir.

The dusty-gas diffusion model was implemented in a compositional simulator to account for the diffusion mechanism expected during the injection of gases in this …

Complementary Techniques To Study The Behavior Of Water And The Effect On Diffusion And Degradation In Hydrogels, Paige Rockwell

Master’s Theses

Hydrogels exhibit biocompatibility in a range of biomedical applications, including drug delivery. This thesis aims to develop complementary techniques to measure the diffusion and degradation behaviors within an injectable, hydrolytically degradable hydrogel, formed via the covalent crosslinking of ethoxylated trimethylolpropane tri-3- mercaptopropionate (ETTMP) and poly(ethylene glycol) diacrylate (PEGDA), to determine its suitability as a drug delivery matrix. The characterization of water as either free, within the network openings of the hydrogel, or bound, tightly associated with the polymer chains, was determined using differential scanning calorimetry (DSC). The mobility of each type of water within the hydrogels was determined via nuclear …

Effects Of Microporous Structure On The Enzymatic Conversion Of Biomass Using A Multiscale Model, Saketh Merugu

Dissertations, Master's Theses and Master's Reports

The generation of biofuels from lignocellulosic biomass involves innovative process technology that is being investigated worldwide. Enzymatic hydrolysis is a major step in the contemporary process of the generation of biofuels. Guided by pore size distribution measured using NMR cryoporometry, we developed pore-enzyme diffusion and adsorption models at the particle level coupled with a kinetic model for cellulose, cellobiose, and glucose production at flask level. By simulating these models in MATLAB, COMSOL, and Polymath software packages, we investigate the effects of various biomass particle-related parameters (particle dimensions, porosity, enzyme accessibility) on the characteristic time of enzyme diffusion and adsorption and …

Assessing The Impact Of Block-Selective Homopolymers On The Diffusion Of Payload Through Polymeric Organogels, Ian Coates

Honors Theses

Styrenic polymer gels have received recent attention for their application in transdermal patches due to their unique properties. Previous research in the pharmaceutical industry has identified that polymeric gels, specifically styrenic gels, have the potential to encompass multiple functions of the transdermal delivery patch including controlling mechanical and delivery properties. To tailor styrenic gels either the gel nanostructure or the drug complex can be controlled. Specifically, this thesis investigated the effect of gel nanostructure in an attempt to control the gel diffusivity and mechanical properties. To control gel nanostructure a phase selective styrene homopolymer was used at varying concentrations. It …

Establishing Independent Tunability Of The Mechanical And Transport Properties Of Polymer Gels, Lucas Rankin

Master’s Theses

Polymer gels can be used in the fabrication of materials for filtering liquid and gaseous media, solid-state electrolytes, and transdermal medical patches. This diverse range of applications primarily relies on the transport and mechanical properties of polymer gels. Both sets of properties have shown excellent tunability, but typically in a coupled fashion. Establishing the independent tunability of the transport and mechanical properties of polymer gels (using simple, cost-effective methods) is paramount if polymer gels are to be used to their full potential. Specifically, block copolymer gels self-assemble into organized nanoscale networks within the gel solvent, which allows for facile control …

Modeling Mass Transfer And Chemical Reaction In Industrial Nitrocellulose Manufacturing Processes, Francis Patrick Sullivan

Dissertations

A series of models are proposed to describe the production of military grade nitrocellulose from dense cellulose materials in mixtures of nitric acid, sulfuric acid, and water. This effort is conducted to provide a predictive capability for analyzing the rate and extent of reaction achieved under a range of reaction conditions used in the industrial nitrocellulose manufacturing process for sheeted cellulose materials. Because this capability does not presently exist, nitrocellulose producers have historically relied on a very narrow range of cellulose raw materials and resorted to trial and error methods to develop processing conditions for new materials. This tool enables …

Nmr Relaxometry And Diffusometry Analysis Of Dynamics In Ionic Liquids And Ionogels For Use In Lithium-Ion Batteries, Carla C. Fraenza

Faculty Scholarship

We have investigated the charge transport dynamics of a novel solid-like electrolyte material based on mixtures of the ionic liquid (IL) 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([BMIM] TFSI) and various concentrations of lithium salt bis(trifluoromethylsulfonyl)imide (LiTFSI) confined within a SiO2 matrix, prepared via a sol-gel method. The translational diffusion coefficients of BMIM+, TFSI‾, and Li+ in ILs and confined ILs (ionogels, IGs) with different concentrations of lithium salt have been measured at variable temperatures, covering the 20-100 °C range, using nuclear magnetic resonance (NMR) pulsed field gradient diffusion spectroscopy. The mobility of BMIM+, TFSI‾, and Li+ was found to increase with the [BMIM] …

From Salt In Solution To Solely Ions: Solvation Of Methyl Viologen In Deep Eutectic Solvents And Ionic Liquids, Jeffrey M. Klein, Henry Squire, William Dean, Burcu E. Gurkan

Faculty Scholarship

Solvation and transport properties of methly viologen dichloride (MVCl2) in 1:2, 1:4, and 1:6 molar mixtures of choline chloride (ChCl) and ethylene glycol (EG), including the deep eutectic solvent (DES) ethaline (1:2 mixture), were studied through the application of the hole theory to measured physical properties, cyclic voltammetry, and Raman spectroscopy. The ChCl:EG mixtures were compared to the ionic liquid (IL) 1-methyl-1-propylpyrrolidinium bis(trifluoromethylsulfonyl) imide ([PYR13][TFSI]) and choline bis(trifluoromethylsulfonyl)imide (ChTFSI) EG mixtures with the same molar ratios in order to understand the impact of the anion and hydrogen bond donor on solvation. Exchanging the chloride anion with TFSI is found to …

Elucidating The Properties And Mechanism For Cellulose Dissolution In Tetrabutylphosphonium-Based Ionic Liquids Using High Concentrations Of Water, Brad Crawford

Graduate Theses, Dissertations, and Problem Reports (ETD)

The structural, transport, and thermodynamic properties related to cellulose dissolution by tetrabutylphosphonium chloride (TBPCl) and tetrabutylphosphonium hydroxide (TBPH)-water mixtures have been calculated via molecular dynamics simulations. For both ionic liquid (IL)-water solutions, water veins begin to form between the TBPs interlocking arms at 80 mol % water, opening a pathway for the diffusion of the anions, cations, and water. The water veins allow for a diffusion regime shift in the concentration region from 80 to 92.5 mol % water, providing a higher probability of solvent interaction with the dissolving cellulose strand. The hydrogen bonding was compared between small and large …

Spatiotemporal Modeling And Model Restructuration Approaches In Studies Of Intracellular Signalling Pathways, Md Shahinuzzaman

Doctoral Dissertations

"The main focus of the research is to understand the complex phenomena of cell transduction pathways and cell biology in a single cell. Mathematical modeling and experimental evaluation are widely used approaches for this kind of research. Firstly, A multiscale framework for protein-protein interaction has been established using Brownian dynamics algorithm. Sit specific feature, steric collision, diffusion, co-localization and complex formation with time and space has been included in this spatial modeling framework. By implementation of the time adaptive feature in this framework, the computation time reduces in an order of magnitude compared with traditional modeling framework. This multiscale Brownian …

Influence Of Natural Convection During Dendritic Array Growth Of Metal Alloys (Gradient Freeze Directional Solidification), Suyog N. Mahajan

ETD Archive

Purpose of this study was to examine the microstructural evolution of primary dendrites during Gradient Freeze Directional Solidification process in cylindrical Pb-5.8% Sb alloy samples to generate the ground- based research data to support a future microgravity experiment on the Space Station in a convection free environment. Pb-5.8Sb was selected for this study because of its ease of processing and availability of physical property data which will be required for predicting the dendrite morphology parameters, such as, primary dendrite spacing and dendrite trunk diameter. This alloy is also susceptible to thermosolutal convection caused by density inversion of the met in …

Study Of Gas Production From Shale Reservoirs With Multi-Stage Hydraulic Fracturing Horizontal Well Considering Multiple Transport Mechanisms, Chaohua Guo, Mingzhen Wei, Hong Liu

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

Development of unconventional shale gas reservoirs (SGRs) has been boosted by the advancements in two key technologies: horizontal drilling and multi-stage hydraulic fracturing. A large number of multi-stage fractured horizontal wells (MsFHW) have been drilled to enhance reservoir production performance. Gas flow in SGRs is a multi-mechanism process, including: desorption, diffusion, and non-Darcy flow. The productivity of the SGRs with MsFHW is influenced by both reservoir conditions and hydraulic fracture properties. However, rare simulation work has been conducted for multi-stage hydraulic fractured SGRs. Most of them use well testing methods, which have too many unrealistic simplifications and assumptions. Also, no …

Fluid Flow In A Krogh Cylinder: A Model For A Single Capillary And Surrounding Tissue, Xianjie Qiu

Masters Theses

"A model describing the flow of plasma from the capillaries to the interstitial space in the extravascular tissue and back into the capillaries is constructed and solved. The flow through the tissue or the interstitial spaces is described by the Brinkman equation for porous medium, modified to account for the presence of cells considered as spheres. The flow of blood through the capillaries is considered to be that of a Newtonian fluid. The flow between capillary and tissue is coupled by the permeability of the capillary wall. The nature of flow and its magnitude was found to be highly dependent …

Microbial Desalination Cells With Efficient Platinum Group Metal-Free Cathode Catalysts, Morteza Rezaei Talarposhti

Chemical and Biological Engineering ETDs

Iron-nitrogen-carbon based catalyst was used at the cathode of a microbial desalination cell (MDC) and compared with platinum (Pt) and activated carbon (AC) cathode. Fe-N-C catalyst was prepared using nicarbazin (NCB) as organic precursor by sacrificial support method (SSM). Rotating ring disk electrode (RRDE) experiments shows that Fe-NCB had higher electrocatalytic activity compared to AC and Pt. The utilization of Fe-NCB into the cathode improved substantially the performance output with initial maximum power density of 49±2 μWcm^-2 in contrast to Pt and AC catalysts which have shown lower values of 34±1 μWcm^-2 and 23.5±1.5 μWcm^-2, respectively. …

A Multiscale Modeling Study Of Particle Size Effects On The Tissue Penetration Efficacy Of Drug-Delivery Nanoparticles, Mohammad Aminul Islam, Sutapa Barua, Dipak Barua

Chemical and Biochemical Engineering Faculty Research & Creative Works

Background: Particle size is a key parameter for drug-delivery nanoparticle design. It is believed that the size of a nanoparticle may have important effects on its ability to overcome the transport barriers in biological tissues. Nonetheless, such effects remain poorly understood. Using a multiscale model, this work investigates particle size effects on the tissue distribution and penetration efficacy of drug-delivery nanoparticles.

Results: We have developed a multiscale spatiotemporal model of nanoparticle transport in biological tissues. The model implements a time-adaptive Brownian Dynamics algorithm that links microscale particle-cell interactions and adhesion dynamics to tissue-scale particle dispersion and penetration. The model accounts …

Diffusion-Mediated Deposition Of Proteins, Ruiqian Zhan

Theses and Dissertations--Mechanical and Aerospace Engineering

Gradients of proteins play a prominent role in many biological processes, from development of multicellular organisms to chemical signaling in the immune system. Deposition of surface gradients is a way to permanently modifying a surface’s properties, resulting in the creation of novel materials which have widespread applications in biologically relevant fields, such as directed cell growth, production of biocompatible implantable materials, and creation of functional biosensors. These types of surfaces can also be used as an ex vivo tool to help understand many biological processes by mimicking the environment in gradient-related phenomena in a controllable way. However, despite the large …

Modeling Of Gas Production From Shale Reservoirs Considering Multiple Transport Mechanisms, Chaohua Guo, Mingzhen Wei, Hong Liu

Geosciences and Geological and Petroleum Engineering Faculty Research & Creative Works

Gas transport in unconventional shale strata is a multi-mechanism-coupling process that is different from the process observed in conventional reservoirs. In micro fractures which are inborn or induced by hydraulic stimulation, viscous flow dominates. And gas surface diffusion and gas desorption should be further considered in organic nano pores. Also, the Klinkenberg effect should be considered when dealing with the gas transport problem. In addition, following two factors can play significant roles under certain circumstances but have not received enough attention in previous models. During pressure depletion, gas viscosity will change with Knudsen number; and pore radius will increase when …

Microanalysis Of Polymer Chain Diffusion In Heat Seals, Russell Cooper

All Theses

Heat sealing is an integral method for the closure and protection of packaging. Previous work has shown that seal strength is developed by the interdiffusion of polymer chains within heat seals. Heat seals were made between two dissimilar materials. Poly(ethylene-co-acrylic acid) (EAA) was heat sealed to ionomer. Diffusion within the EAA-ionomer heat seals was estimated. The diffusion estimates were then related to resulting seal strength in the EAA-ionomer sealant system. Heated tooling sealing was utilized to make heat seals at 40 psi (275.79 kPa), 0.5 seconds, and a range of temperatures between 180˚F (82.22˚C) and 300˚F (148.89˚C). Scanning electron microscopy …