Thermodynamics Commons^™

Metabolite Analysis To Understand Factors Limiting Microbial Fermentation At High Substrate Concentrations, Bishal D. Sharma

Dartmouth College Ph.D Dissertations

Clostridium thermocellum, a thermophilic anaerobic bacterium, holds promise as a biocatalyst for conversion of lignocellulosic biomass into biofuels. This microbe has been subjected to various metabolic engineering strategies, including the deletion of genes encoding secondary fermentation products such as H₂, formate, acetate, and lactate, as well as the expression of heterologous genes to redirect carbon flux toward ethanol production. Despite these efforts, achieving economically viable ethanol titers remains a challenge. We hypothesized that studying how intracellular metabolite concentrations change as fermentation stops could reveal metabolic bottlenecks or regulatory mechanisms limiting ethanol production at high titers. However, metabolomics studies at …

Constant-Ph Molecular Dynamics At Inorganic Interfaces: Adding A New Dimension To Simulations Of Interfacial Phenomena., Ted Kalbfleisch

Electronic Theses and Dissertations

This dissertation explores the application of novel molecular dynamics simulation methods to better understand complex systems, with a particular focus on silica materials and protein interactions. Silica materials, known for their versatile surface and solution chemistries, play critical roles in catalysis, chromatography, and wastewater treatment. Despite their widespread use, the molecular-level interactions between silica surfaces and their environments remain poorly understood. To address this knowledge gap, we employed λ-dynamics enabled constant pH molecular dynamics to dynamically model protonation and deprotonation events on silica surfaces. Traditional experimental techniques such as x-ray crystallography, NMR, and cryo-EM are inadequate for probing structures in …

Design And Optimization Of An Azeotropic Distillation Pilot Plant For The Production Of Pure Ethanol, Samwel V. Manyele

Tanzania Journal of Engineering and Technology (TJET)

This study aimed to design an azeotropic distillation plant using Aspen Plus® V10 software and determine optimal process conditions for producing pure ethanol greater than 95% from pre-concentrated near-azeotropic ethanol-water solution. The non-random two-liquid Redlich-Kwong thermodynamic model was the base method for property analysis and performance prediction. Modelling and simulation of the converged process were conducted for fixed column variables (R = 5, N = 12 and p = 1 atm). Plant operating parameters were varied in the range of 0 to 1 for the pre-heater vapour fraction, 2 to 10 for the column feed plates (NFP), 2 to 6 …

Production Of Biofertilizer From Fruit And Garden Waste, Neema Msuya

Tanzania Journal of Engineering and Technology (TJET)

The project focused on the production of bio-fertilizer from fruit and garden waste, with a specific emphasis on utilizing pineapple tops in the composting process. The objective was to produce and assess the properties of the bio fertilizer obtained from this process and evaluate its potential application in agriculture. In this study, the composting process was done in a 0.7 m long, 0.85 wide and 1.1 m high vessel, and 0.238 m3 pineapple top wastes, resulting in 0.35 m3 of biofertilizer. The bio fertilizer produced exhibited favorable characteristics, including a moisture content of 36%, pH of 7.1, and a total …

Study Of The Effects Of Thermal Aging Coupled With Shot-Peening Treatment Of Carbonitrided Din 1.6587 Low Alloy Steel On Retained Austenite And Residual Stresses, Richard J. Katemi

Tanzania Journal of Engineering and Technology (TJET)

This work investigated the effects of thermal aging and shot-peening of carbonitrided 1.6587 steel grade on retained austenite and residual stresses. After carbonitriding samples contained maximum of 0.87% carbon, 0.34% nitrogen and 50 mass. -% retained austenite. Thermal aging conditions investigated were -30°C, 90°C and 150°C while the aging period were 14, 96 and 720 hours. After thermal aging, some of the samples were subjected to shot-peening treatment using standard cut wire shots StD – G3 - 0.6 mm VDFI 8001 with intensity in the range of 0.25 to 0.30 mmA and coverage of 1.00 to 1.24 x 98%. It …

Hydrodynamics Of Drops And Particles Driven By Marangoni And Diffusiophoretic Forces, Subramaniam Chembai Ganesh

Dissertations and Theses

This study investigates the hydrodynamics of particles and drops driven by forces generated by an asymmetrical physical and chemical surrounding environment. In the first part, a novel colloidal motor design driven by surface tension forces is proposed, utilizing an active Janus particle encapsulated in an immiscible liquid drop to form a compound drop/particle. Marangoni forces induced by asymmetric solute adsorption at the liquid-liquid interface of the drop propels the compound system. The propulsion speeds of the motor are analyzed for various relative sizes and configurations of the Janus particle and the encapsulating drop and the effects of varying the transport …

A Portable Point-Of-Care Device Using Joule Heating And Latent Energy Storage For The Temperature Regulation Of Isothermal Nucleic Acid Amplification Tests, Aubrey Lynn Schultz

Graduate Theses and Dissertations

Accurate and early diagnosis of infectious diseases extremely important. Rapid diagnosis allows for effective treatment and increases the chance for recovery without complications. Additionally, the ability to test the populace frequently, swiftly, and affordably significantly aids in containing wide-scale outbreaks. In terms of specificity and sensitivity, nucleic acid amplification tests (NAAT) are one of the best options for diagnosing infectious diseases. Isothermal NAATS present a unique opportunity to create diagnostic tests deployed at a Point-of-Care (POC) level. Specifically, loop-mediated isothermal amplification (LAMP) and recombinase polymerase amplification (RPA) have the potential to deliver reliable POC diagnostics in low-resource settings. When designing …

Understanding Absorption, Supersaturation, And Drug Activity In Solution: Working Towards Developing A More Biorelevant Media, Freddy Arce

Theses and Dissertations--Pharmacy

With the looming dominance of poorly water-soluble chemical entities within the pharmaceutical pipeline, the pharmaceutical industry has leaned on the use of supersaturating drug delivery systems (SDDSs) to achieve efficacious concentrations within the gastrointestinal fluids. SDDSs aim to achieve concentrations in solutions greater than the solubility of the lowest energy crystalline form. However, the generation of supersaturated solutions of active pharmaceutical ingredients (APIs) creates a strong crystallization potential, which is undesirable.

In product development, supersaturating products often fail in Phase I and Phase II clinical trials due to poor oral bioavailability and a lack of in vivo efficacy. Pre-clinical testing …

Interactions Of Lignin Dimers With Engineered Surfaces And Model Cell Membranes For Design Of Lignin-Based Materials, Mahsa Moradipour

Theses and Dissertations--Chemical and Materials Engineering

Capitalizing on byproducts of industrial and agricultural economies is among the utmost goals of sustainability. Of particular interest for commercial upgrading is lignin, a phenolic biopolymer found in the cell walls of plants which is the second most abundant biopolymer on Earth after cellulose. Due to its heterogeneous structure, deconstructing lignin to selected small molecules for use as chemicals or advanced materials has been elusive. This work capitalizes on a “bottom up” approach to the synthesis of lignin oligomers of known bond chemistry to better understand their interfacial interactions.

The potential pharmacological mechanism of lignin deconstruction components and their toxicological …

Solution To Exide Technologies Inbatec Inefficiency, Spencer Christian, Shixuan Hou, Mary Fairley, Reagan Gilker, Covenson Latouche

Chemical Engineering Undergraduate Honors Theses

The inefficiency of the battery charging time in Inbatec Units 1 and 2 in the Exide Technologies Fort Smith was initially investigated by a student team in Fall 2019, and the investigation was continued into Spring 2020. The Exide Technologies facility in Fort Smith, Arkansas utilizes 13 Inbatec units to charge the lead-acid batteries. The Inbatec systems circulate the sulfuric acid solution through a cooling tower to maintain to optimal charging temperature. Previous analysis of the charging process for Inbatec Units 1 and 2 show the cooling tower have the capacity to quickly remove the excess heat in the sulfuric …

Solution To Exide Technologies Inbatec Inefficiency, Shixuan Hou, Reagan Gilker, Mary Fairley, Spencer Christian, Covenson Latouche

Chemical Engineering Undergraduate Honors Theses

The inefficiency of the battery charging time in Inbatec Units 1 and 2 in the Exide Technologies Fort Smith was initially investigated by a student team in Fall 2019, and the investigation was continued into Spring 2020. The Exide Technologies facility in Fort Smith, Arkansas utilizes 13 Inbatec units to charge the lead-acid batteries. The Inbatec systems circulate the sulfuric acid solution through a cooling tower to maintain to optimal charging temperature. Previous analysis of the charging process for Inbatec Units 1 and 2 show the cooling tower have the capacity to quickly remove the excess heat in the sulfuric …

The Potentials Of Faecal Sludge Treatment Using Local Conditioners In Tanzania: A Review, Doglas Benjamin1

Tanzania Journal of Engineering and Technology (TJET)

Worldwide, every day human beings generate millions of tons of Faecal Sludge (FS), which is rich in water, nutrients, energy, and organic compounds. Yet FS is not being managed in a way that permits us to derive value from its reuse, while at the same time, millions of farmers struggle with depleted soils and lack of water. In most of the developing countries, energy for cooking is mainly derived from cutting of trees, either as wood or charcoal. Resource recovery and reuse from FS can create livelihoods, enhance food security, support green economies, reduce waste and contribute to cost recovery …

Self-Assembled Nanoantenna Enhance Optical Activity And Transport In Scalable Thin Films And Interfaces, Keith Richard Berry Jr.

Graduate Theses and Dissertations

Continued population growth and the decrease of existing energy platforms demands long-term solutions for development and implementation of scalable plasmonic metamaterials for energy and agricultural applications. Self-assembled nanoantenna into random and ordered arrangements are advanced herein for optical and thermal enhancements in scalable thin film. An analytical approach to estimating the thermal dynamics of random arrangements of nanoantenna resulted in estimates within 30% across a range of geometric parameters, nanoantenna-containing media, and thermal parameters. Multimodal thermal dynamics of polymer thin films containing gold nanoparticles (AuNPs) were observed through the natural log of the dimensionless temperature driving force plotted versus time …

Effects Of Hofmeister Ions On Transition Temperature Of Two Thermo-Responsive Polymers, Joshua Moser

Williams Honors College, Honors Research Projects

It was hypothesized that through the use of Hofmeister Ions, the lower critical solution temperature (LCST) of poly(vinyl methyl ether) (PVME) and poly(ethylene glycol)- poly(N-isopropylacrylamide) (PEG-b-pNIPAAm) block-copolymer could be controlled. Through literature searches and small lab experiments, our team found that there may be a connection between Hofmeister effects and phase transition of a thermo-responsive polymer. To try and prove this, the lab team decided to take four cations (Mg²⁺,Na⁺, Cs⁺, K⁺) in solution with the thermo-responsive polymers and compared their LCST to solutions of the thermo-responsive polymer in de-ionized …

Radical Social Ecology As Deep Pragmatism: A Call To The Abolition Of Systemic Dissonance And The Minimization Of Entropic Chaos, Arielle Brender

Student Theses 2015-Present

This paper aims to shed light on the dissonance caused by the superimposition of Dominant Human Systems on Natural Systems. I highlight the synthetic nature of Dominant Human Systems as egoic and linguistic phenomenon manufactured by a mere portion of the human population, which renders them inherently oppressive unto peoples and landscapes whose wisdom were barred from the design process. In pursuing a radical pragmatic approach to mending the simultaneous oppression and destruction of the human being and the earth, I highlight the necessity of minimizing entropic chaos caused by excess energy expenditure, an essential feature of systems that aim …

Understanding Inhibition Of A Biodesulfurization Enzyme To Improve Sulfur Removal From Petroleum, Yue Yu

Theses and Dissertations--Chemical and Materials Engineering

The biodesulfurization 4S-pathway is a promising complementary enzymatic approach to remove sulfur from recalcitrant thiophenic derivatives in petroleum products that remain from conventional hydrodesulfurization method without diminishing the calorific value of oil. The final step of this pathway involves the carbon-sulfur bond cleavage from HBPS, and the production of the final products 2-hydroxybiphenyl (HBP) and sulfite, has been recognized as the rate-limiting step, partially as a result of product inhibition. However, the mechanisms and factors responsible for product inhibition in the last step have not been fully understood. In this work, we proposed a computational investigation using molecular dynamic simulations …

Molecular Modeling Of Antibody-Antigen Binding Near Solid Surfaces, Derek Bush, Thomas Knotts

Biomedical Engineering Western Regional Conference

Antibody microarrays are biosensors that have the potential to revolutionize molecular detection in medicine, scientific research, and national defense. However, current microarrays are not widely used due to problems including poor reproducibility and signal quality, unbalanced antibody performance, and cross-reactivity. Prior work in the area focused mainly on the stability of the antibody alone and not its affinity for its antigen. This presentation shows results of using molecular simulation to determine how different types of surfaces affect antigen binding to surface-tethered antibodies. The results offer an unprecedented, molecular-level view into these protein-protein-surface interactions and how to drive binding to occur.

Understanding Glycoside Hydrolase Processivity For Improved Biomass Conversion, Suvamay Jana

Theses and Dissertations--Chemical and Materials Engineering

In nature, organisms secrete synergistic enzyme cocktails to deconstruct crystalline polysaccharides, such as cellulose and chitin, to soluble sugars. The cocktails consist of multiple classes of processive and non-processive glycoside hydrolases (GH) that aid in substrate accessibility and reduce product inhibition. Processive GHs attach to chain ends and hydrolyze many glycosidic linkages in sequence to produce disaccharide units before dissociation, and as such, are responsible for the majority of hydrolytic bond cleavages. Accordingly, processive GHs are targets for activity improvements towards efficient and economical biomass conversion. However, the mechanism and factors responsible for processivity are still not understood completely at …

Methanol And Dimethyl Ether From Renewable Hydrogen And Carbon Dioxide: Alternative Fuels Production And Life-Cycle Assessment, Michael J. Matzen, Yaşar Demirel

Yaşar Demirel Publications

In this work we investigate two renewably based alternative fuels; methanol and dimethyl ether. The ultimate feedstocks for production are wind-based electrolytic hydrogen and carbon dioxide captured from an ethanol fermentation process. Dimethyl ether production was modeled in ASPEN Plus using a previously simulated methanol production facility. The facilities use 18.6 metric tons (mt) of H₂ and 138.4 mt CO₂ per day. Methanol is produced at a rate 96.7 mt/day (99.5 wt%) and dimethyl ether is produced at a rate of 68.5 mt/day (99.6 wt%). A full comparative life-cycle assessment (cradle-to-grave) of both fuels was conducted to investigate …

Thermodynamic Analysis Of Phenylpropanoid Pathway In Arabidopsis Thanliana, Patrick J. Ioerger, Rohit Jaini, John A. Morgan

The Summer Undergraduate Research Fellowship (SURF) Symposium

Biofuels represent a renewable alternative to traditional fossil fuels. As dependence on fossil fuels rise so does the importance of improving the production of alternative fuels. Lignin poses one obstacle in the development of such alternative fuels. Its presence strengthens cell walls and hinders degradation of polysaccharides into monosaccharides, increasing cost and time while decreasing efficiency of the process. Lignin is composed of three monolignols, each of which is produced through the Phenylpropanoid pathway; a series of chemical reactions. This work aims to determine which reactions in the pathway are least thermodynamically favorable and thus most limiting. From metabolic mapping …

Energy Intensity And Environmental Impact Metrics Of The Back-End Separation Of Ethylene Plant By Thermodynamic Analysis, Mahdi H. Alhajji, Yaşar Demirel

Department of Chemical and Biomolecular Engineering: Faculty Publications

This study presents metrics of energy intensity and environmental impact of the back-end separation of ethylene plant consisting three interacting distillation columns by thermodynamic analysis. The objective is to explore the scope of reducing the energy for utilities and CO₂ emissions. Thermodynamic analysis is carried out using the column targeting tool (CTT) to address the sustainability metrics of ‘Energy Intensity.’ CTT is based on the ‘Practical Near-Minimum Thermodynamic Condition’ representing a close to practical reversible column operation. Environmental impact metrics are estimated from the carbon tracking options. The carbon tracking are estimated by the CO₂ emission data source …

Technoeconomics And Sustainability Of Renewable Methanol And Ammonia Productions Using Wind Power-Based Hydrogen, Michael J. Matzen, Mahdi H. Alhajji, Yaşar Demirel

Yaşar Demirel Publications

This study analyzes and compares the economics and sustainability aspects of two hydrogenation processes for producing renewable methanol and ammonia by using wind-power based electrolytic hydrogen. Carbon dioxide from an ethanol plant is used for producing methanol, while the nitrogen is supplied by an Air Separation Unit (ASU) for producing ammonia. The capacities are 99.96 mt/day methanol and 1202.55 mt/day anhydrous ammonia. The methanol plant requires 138.37 mt CO₂/day and 19.08 mt H₂/day. The ammonia is synthesized by using 217.72 mt H₂/day and 1009.15 mt N₂/day. The production costs and the carbon …

Information In Biological Systems And The Fluctuation Theorem, Yaşar Demirel

Department of Chemical and Biomolecular Engineering: Faculty Publications

Some critical trends in information theory, its role in living systems and utilization in fluctuation theory are discussed. The mutual information of thermodynamic coupling is incorporated into the generalized fluctuation theorem by using information theory and nonequilibrium thermodynamics. Thermodynamically coupled dissipative structures in living systems are capable of degrading more energy, and processing complex information through developmental and environmental constraints. The generalized fluctuation theorem can quantify the hysteresis observed in the amount of the irreversible work in nonequilibrium regimes in the presence of information and thermodynamic coupling.

Nonequilibrium Thermodynamics Modeling Of Coupled Biochemical Cycles In Living Cells, Yaşar Demirel

Yaşar Demirel Publications

Living cells represent open, nonequilibrium, self organizing, and dissipative systems maintained with the continuous supply of outside and inside material, energy, and information flows. The energy in the form of adenosine triphosphate is utilized in biochemical cycles, transport processes, protein synthesis, reproduction, and performing other biological work. The processes in molecular and cellular biological systems are stochastic in nature with varying spatial and time scales, and bounded with conservation laws, kinetic laws, and thermodynamic constraints, which should be taken into account by any approach for modeling biological systems. In component biology, this review focuses on the modeling of enzyme kinetics …

Simulation Of Corn Stover And Distillers Grains Gasification With Aspen Plus, Ajay Kumar, Hossein Noureddini, Yaşar Demirel, David Jones, Milford Hanna

Yaşar Demirel Publications

A model was developed to simulate the performance of a lab‐scale gasifier and predict the flowrate and composition of product from given biomass composition and gasifier operating conditions using Aspen Plus software. Mass balance, energy balance, and minimization of Gibbs free energy during the gasification were applied to determine the product gas composition. Carbon conversion efficiency and tar content were provided to the model as inputs as these could not be predicted by the model based on minimization of Gibbs free energy. Experiments for validation of the model were performed on a lab‐scale fluidized bed gasifier using corn stover and …

Socio-Economic Impacts Of Computer Viruses In Tanzania, M Victor

Tanzania Journal of Engineering and Technology (TJET)

This paper reports on a research project conducted with an objective of identifying and assessing various approaches used by different computer users (Management, System Administrators and end users) in Tanzania to combat computer viruses (CVs), and to assess users' awareness level on CVs. Specifically, the study aimed at assessing the awareness level on CVs to the Tanzanian business community; analyze the socio -economic impact caused by CVs in Tanzania and; assess existing methods, capacity and limitations on controlling CVs in Tanzania. Data was collected using both questionnaires and interview from financial institutions such as NBC and BOT, and telecommunications sector …

Exergy Use In Bioenergetics, Yaşar Demirel

Papers in Analytical Chemistry

Every developed and adapted biological system extracts useful energy from outside, converts, stores it, and uses for muscular contraction, substrate transport, protein synthesis, and other energy utilizing processes. This energy management in a living cell is called the bioenergetics, and the useful energy is the exergy, which is destroyed in every irreversible process because of the entropy production. The converted exergy is the adenosine triphosphate (ATP) produced through the oxidative phosphorylation coupled to respiration in which the exergy originates from oxidation of reducing equivalents of nutrients. A living cell uses the ATP for all the energy demanding activities; it has …

Review Of The Product Development Process And Information Flow In The Manufacturing Industry: Problems And A Possible Wav Forward, E Opiyo

Tanzania Journal of Engineering and Technology (TJET)

No abstract provided.

Thermodynamics And Bioenergetics, Yaşar Demirel, Stanley I. Sandler

Papers in Thermal Mechanics

Bioenergetics is concerned with the energy conservation and conversion processes in a living cell, particularly in the inner membrane of the mitochondrion. This review summarizes the role of thermodynamics in understanding the coupling between the chemical reactions and the transport of substances in bioenergetics. Thermodynamics has the advantages of identifying possible pathways, providing a measure of the efficiency of energy conversion, and of the coupling between various processes without requiring a detailed knowledge of the underlying mechanisms. In the last five decades, various new approaches in thermodynamics, non-equilibrium thermodynamics and network thermodynamics have been developed to understand the transport and …

Thermodynamics And Bioenergetics, Yaşar Demirel, Stanley I. Sandler

Papers in Thermal Mechanics

Bioenergetics is concerned with the energy conservation and conversion processes in a living cell, particularly in the inner membrane of the mitochondrion. This review summarizes the role of thermodynamics in understanding the coupling between the chemical reactions and the transport of substances in bioenergetics. Thermodynamics has the advantages of identifying possible pathways, providing a measure of the efficiency of energy conversion, and of the coupling between various processes without requiring a detailed knowledge of the underlying mechanisms. In the last five decades, various new approaches in thermodynamics, non-equilibrium thermodynamics and network thermodynamics have been developed to understand the transport and …