Thermodynamics Commons^™

Optimization Of Styrene From Ethylbenzene Case Study, Jabria Daria Thompson

Honors Theses

The following pages detail the optimization process of styrene from ethylbenzene in the Styrene Production Plant, Unit 500. There were two parts of the assignment, each with slightly different end goals. The goal of the first part of the assignment, was to create a process that would effectively and efficiently increase the negative Net Present Value (NPV) of the production plant. Procedures taken in this process included developing a working kinetic process simulation model and optimizing this model through unit operations and heat integration, as well as developing an accurate economic model that will be used to evaluate the proposed ...

The Design And Economic Optimization Of A Warehouse Refrigeration System, Hannah Talbot

Honors Theses

The purpose of this project was to design a cool warehouse refrigeration system for Acme Frozen Foods, Inc located in Newark, New Jersey. The refrigeration system was used to cool eighteen 300,000 ft³ refrigerated units (200 ft x 100 ft x 15 ft), each requiring 200 cooling tons of refrigeration at a level of 0 F. The scope of this project included determining the appropriate refrigeration cycle, selecting the most desirable refrigerant, and temperature ranges to optimize the performance of the system. This project also considered the economic cost of the power needed to run the refrigerated units ...

Free Convection Heat Transfer From Plates, Alexa Moreno

Chemical Engineering Undergraduate Honors Theses

The purpose of this honors thesis is to create an experiment for the CHEG Lab I course. This report explains the motivation for creating this heat convection experiment, the results of performing the experiment, and provides recommendations for future work on this experiment. Multiple experiments were performed to assess materials and parameters to be investigated. It was determined that a 0.5” plate has smaller percent error and accommodates for the desired timeframe for a Lab I experiment compared to the first plate used (1.5” thickness). Recommendations for expanding on this project include adding experiments using vertical geometry for ...

Phonon Thermodynamics Of Bcc Zirconium With Machine Learning, Vanessa Judith Meraz

Open Access Theses & Dissertations

First principles-based simulations have allowed us to explore emerging phenomena in a variety of systems. Its steadfast practicality has led to an increase in molecular and materials design ranging from drug discovery to planetary formation. However ubiquitous in its field, one of its biggest drawbacks is its computational cost, notably so in molecular dynamics simulations. To counter this setback, there have been many leading efforts in machine learning methods, whether it be in algorithms or network architectures. Our contribution uses an active learning algorithm paired with a tensor field network, e3nn. By steadily feeding new data points to our model ...

Crowd Control: Regulating The Spatial Organization Of Biopolymers And Gene Expression By Macromolecular Crowding, Gaurav Chauhan

Doctoral Dissertations

The intracellular environment is crowded with macromolecules that can occupy a significant fraction of the cellular volume. This can give rise to attractive depletion interactions that impact the conformations and interactions of biopolymers, as well as their interactions with confining surfaces. We used computer simulations to study the effects of crowding on biologically-inspired models of polymers. We showed that crowding can lead to attractive interactions between two flexible ring polymers, and we further characterized the adsorption of both flexible and semiflexible polymers onto confining surfaces. These results indicate that crowding-induced depletion interactions could play a role in the spatial organization ...

Novel Thermal Coating For High-Speed Airplanes, Abinash Satapathy, Lakshay Battu, Liam Watson, Nazanin Rajabi

Symposium of Student Scholars

In comparison to various other materials, Carbon Fiber, specifically Carbon Fiber Reinforced Polymers (CFRP), is pre-eminent amongst other materials for use on aeronautical systems. Due to its high specific strength (strength-to-weight ratio), CFRP is prominent for carrying heavy loads while maintaining a lightweight build. However, when influenced by heat resulting from air resistance, CFRP is known to undergo serious degradation that would significantly decrease the effectiveness of the polymers. To prevent this degradation and maintain the strength of the CFRP, thermal protective layers (TPLs) are designed to shield the CFRP from heat exposure. This research is focused on the examination ...

Computational Rational Design Of Electrocatalysts For Electrochemical Ammonia And Hydrogen Synthesis, Akash Jain

Doctoral Dissertations

The electrochemical hydrogen evolution reaction (HER) and nitrogen reduction reaction (NRR) offer fossil-fuel-free routes for hydrogen and ammonia synthesis, respectively. However, currently, both processes lack suitable electrocatalysts for practical applications. Thus, this dissertation focuses on the computational rational design of HER and NRR electrocatalysts.

HER is most efficiently catalyzed by platinum (Pt), which is expensive. To reduce the catalyst cost, we investigate core-shell nanoparticles of inexpensive tungsten-carbide (WC) and Pt (WC@Pt). Using first-principles density functional theory (DFT) calculations, we compare the suitability of two WC phases, α-WC and β-WC as support materials for Pt overlayers. We dope WC with ...

Study Guide Generation In Chemical Engineering Thermodynamics: A Comparison Between Individual And Group Preparation, William Brown

Williams Honors College, Honors Research Projects

Thermodynamics is an essential course in the chemical engineering curriculum. Thermodynamics requires the use of many equations and rules that use subtle concepts from math, physics, and chemistry. To assist students with using these equations and recalling rules on exams, students are often permitted a “study guide” to use on the exams to help avoid rote memorization. Study guide construction is an environment in which students learn, and learning has been shown to improve when collaboration is involved. In this research, students will construct study guides individually for one exam, and in teams for one exam. Students will answer questions ...

Thermoeconomic Analysis And Multi-Objective Optimization Of A Novel Trigeneration System Consisting Of Kalina And Humidificationdehumidification Desalination Cycles, Pooria Behnam, Meysam Faegh, Iman Fakhari, Pouria Ahmadi, Ehsan Faegh, Marc A. Rosen

Research outputs 2022 to 2026

Low-temperature geothermal heat sources have the highest share of geothermal energy in the world. Utilization of these heat sources for energy and freshwater generation can play an important role in meeting energy and freshwater demands. To do so, this study aims to propose a novel trigeneration cycle powered by low-temperature geothermal sources. The proposed system, which is an integration of Kalina and humidification-dehumidification (HDH) cycles, is used for the generation of electricity, heating, and freshwater. For the Kalina cycle, an evaporative condenser is used. It also acts as a humidifier and heater of the humidification-dehumidification desalination cycle, resulting in a ...

A Vacuum-Driven Distillation Technology Of Aqueous Solutions And Mixtures, Guo Guangyu

Dissertations

Distillation of aqueous solutions and aqueous mixtures has vast industrial applications, including desalination, wastewater treatment, and fruit juice concentration. Currently, two major distillation technologies are adopted in the industry, membrane separation and thermal distillation. However, both of them face certain inevitable drawbacks. Membrane separation has disadvantages as relying on high-grade energy, requiring membrane, fouling problem, narrow treatment range, limited scalability, and vibrating and noisy operating conditions. Traditional thermal distillation technologies can avoid above concerns but has other shortcomings, such as relatively low energy efficiency and yield rate, complicated and bulky system structure, and scaling problem.

This project proposes an innovative ...

Numerical Investigation On The Effect Of Spectral Radiative Heat Transfer Within An Ablative Material, Raghava S. C. Davuluri, Rui Fu, Kaveh A. Tagavi, Alexandre Martin

Mechanical Engineering Faculty Publications

The spectral radiative heat flux could impact the material response. In order to evaluate it, a coupling scheme between KATS - MR and P1 approximation model of radiation transfer equation (RTE) is constructed and used. A Band model is developed that divides the spectral domain into small bands of unequal widths. Two verification studies are conducted: one by comparing the simulation computed by the Band model with pure conduction results and the other by comparing with similar models of RTE. The comparative results from the verification studies indicate that the Band model is computationally efficient and can be used to simulate ...

Computational Sodium Heat Pipe Simulation In Three Dimensions For Transient Nuclear Reactor Analysis With Variable Surface Heat Flux, Valerie Jean Lawdensky

UNLV Theses, Dissertations, Professional Papers, and Capstones

Heat pipes are used to transfer heat through phase change in a liquid/vapor contained in a metal tube. They are passive devices that require no pumps to circulate the fluid and can transfer heat far more efficiently than a solid copper rod of the same diameter. They are commonly used in laptop computers where copper heat pipes filled with water take heat away from the CPU and transfer the heat to air through a heat exchanger. Heat pipes were also used in the Kilopower nuclear reactor where higher temperatures required sodium as the working fluid with stainless steel tubes ...

Supercritical Co2 Recompression Closed Brayton Cycle Analysis, Andres Eduardo Gutierrez Hernandez

Open Access Theses & Dissertations

On this research, the results of an analysis made of a Supercritical Carbon Dioxide (sCO2) Recuperated Closed Brayton Cycle (RCBC) done by performing theorical calculations and comparing it to the results obtained with the use of the software ASPEN Plus will be presented. To demonstrate and determine that this software is a useful tool for modeling the proposed type of cycle, a preliminary comparison was made to verify with previous studies found in literature. A comparison and analysis between the possible working fluids and thermal energy sources was also performed to emphasize the decision of using CO2 as the cycle ...

Thermochemical And Continuum Modeling To Understand The Chemical Composition Of Pwr Fuel Crud, Jason T. Rizk

Doctoral Dissertations

Computational modeling of Chalk River Undesirable Deposits (CRUD) allows for the prediction of associated phenomena that impact nuclear power plant performance, reliability, and safety. It also provides insight into the physical mechanisms by which CRUD forms and affects plant performance. A major concern in pressurized water reactors (PWRs) is Axial Offset Anomaly (AOA) which is caused by CRUD’s proficiency at trapping boron within the reactor core. The ability to predict AOA and other phenomena requires a detailed explanation of the chemical composition of CRUD. By pairing computational models that can simulate the structure and species trapping with detailed thermochemical ...

Fully Coupled Internal Radiative Heat Transfer For The 3d Material Response Of Heat Shield, Raghava S. C. Davuluri, Rui Fu, Kaveh A. Tagavi, Alexandre Martin

Mechanical Engineering Faculty Publications

The radiative transfer equation (RTE) is strongly coupled to the material response code KATS. A P-1 approximation model of RTE is used to account for radiation heat transfer within the material. First, the verification of the RTE model is performed by comparing the numerical and analytical solutions. Next, the coupling scheme is validated by comparing the temperature profiles of pure conduction and conduction coupled with radiative emission. The validation study is conducted on Marschall et al. cases (radiant heating, arc-jet heating, and space shuttle entry), 3D Block, 2D IsoQ sample, and Stardust Return Capsule. The validation results agree well for ...

Thermodynamic Vapor-Liquid Equilibrium In Naphtha-Water Mixtures, Sandra Milena Lopez-Zamora

Electronic Thesis and Dissertation Repository

Naphtha is used to dilute the froth from bitumen treatment. Naphtha is recovered using a Naphtha Recovery Unit (NRU) and sent back to the froth dilution step. To minimize the environmental and economic impact of the NRU, it is imperative to maximize the naphtha recovery. It is, in this respect, that enhanced NRU Vapour-Liquid-Liquid equilibrium data is a significant value. The prediction of phase equilibria for hydrocarbon/water blends in separators, is a subject of considerable importance for chemical processes. Despite its relevance, there are still pending questions. Among them, is the prediction of the correct number of phases. While ...

Economic Feasibility Of Mixed Plastic Waste Pyrolysis Using Twin Reactor System In Northwest Arkansas, Carol Rogers, Patricia Means, Renato Gonzalez, Kaida Sheets, Hayden Townsend

Chemical Engineering Undergraduate Honors Theses

Plastic waste generation is increasing at an unsustainable rate while recycling solutions remain stagnant. As a chemical means of recycling, mixed plastic waste pyrolysis can generate synthetic oil appropriate for use as fuel in power generation from plastic waste that otherwise accumulates in landfills. With the scaling of a commercial plastic pyrolysis process in Northwest Arkansas (NWA) modeled after an operational sawdust pyrolysis unit in Huntsville, Arkansas, economic analysis resulted in 26.3% internal rate of return. Therefore, construction of a commercial mixed plastic-to-fuel pyrolysis plant is economically justified and should be pursued. To effectively implement the proposed design, NWA ...

Relationship Between Thermal Conductivity And Free Electrons In Metal, Yansong Liu

Senior Theses

An experiment was designed and conducted to explore the relationship between thermal conductivity with free electrons in metal. In the experiment, copper, iron, aluminum, and titanium rods with close diameters were used to carry out the experiment. Each rod was heated up by a heat unit at one end while cooled on the other end with a heat sink to maintain a steady state. DC current was applied to rods in the direction along, as well as against, the heat flow. Thermal conductivities were measured in these two situations for each rod. Results showed electrons do dominate thermal flow inside ...

Thermal And Thermophysical Properties Of Anionic Amines And Their Aqueous Solutions For Co2 Capture In Confined Environments, Randi Swanson

Undergraduate Theses

Air revitalization for the International Space Station (ISS) has been identified by NASA as a mission critical need which requires improvement. The current method uses13X zeolite, a solid adsorbent, to adsorb carbon dioxide. While this is effective, the zeolite adsorbent produces dust that is unwelcome on the space station. Furthermore, the adsorbentis too sensitive to humidity in moderate temperature gas streams [1]. Aqueous solutions of ionic amines show promise as a safe and efficient solution, as they do not volatilize and are not water sensitive [2]. Specifically, anionic amines have the most potential because of the amine functional group’s ...

Tailoring Thermoresponsive Poly(N-Isopropylacrylamide) Toward Sensing Perfluoroalkyl Acids, Dustin Thomas Savage

Theses and Dissertations--Chemical and Materials Engineering

Widespread distribution of poly- and perfluoroalkyl substances (PFAS) in the environment combined with concerns for their potentially negative health effects has motivated regulators to establish strict standards for their surveillance. The United States Environmental Protection Agency issued a cumulative domestic threshold of 70 ppt for water supplies, and this bar is even lower in some local districts and other countries. Monitoring PFAS consequently requires sensitive analytical equipment to meet regulatory specifications, and liquid chromatography with tandem mass spectroscopy (LC/MS/MS) is the most common technique used to satisfy these requirements. Though extremely sensitive, the instrument is often burdened by ...