Thermodynamics Commons^™

Metathesis Or Isomerization: Counteranion Directed Reactivity Of Grubbs I, Paul D. Miller, Joe B. Calkins, Craig A. Bayse, Trandon A. Bender

Chemistry & Biochemistry Faculty Publications

Catalytic isomerization of alkenes has garnered interest for many years, but there are remaining challenges when it comes to thermodynamic selectivity and uncontrolled isomerization. Nonbiased substrates, be it sterically or thermodynamically, remain challenging for many catalysts, with a few examples available in the more modern literature. Herein, we present the controlled isomerization of linear alkenes with a cocatalytic mixture of commercially available catalyst and reagents: Grubbs I, tris(pentafluorophenyl)borane, and triethylsilane. DFT calculations indicate that an observed alkylidyne hydride intermediate is in rapid equilibrium with an alkylidene that binds the alkene substrate. This combination results in a pi-acidic metal and a …

Investigations Of Conjugate Heat Transfer And Fluid Flow In Partitioned Porous Cavity Using Darcy-Forchheimer Model: Finite Element-Based Computations, Nasir Yasin, Shafee Ahmad, Muhammad Umair, Zahir Shah, Narcisa Vrinceanu, Ghadah Alhawael

Mathematics & Statistics Faculty Publications

The conjugate heat transfer and fluid flow has vast applications in thermal engineering, particularly for cooling in thermal devices, and automobile engines. This study investigates conjugate heat transfer in 2D enclosures, featuring thin solid fins attached to a porous bottom wall. The porous medium is considered isotropic and homogeneous by the Darcy-Forchheimer model, with fluid phases in local thermal equilibrium. The boundary conditions at the porous fluid interface ensure continuity of the velocities, stresses, temperature, and heat flux. The phenomenon is mathematically modelled by obtaining a set of partial differential equations. The finite element method (FEM) is used to perform …

Flipped Classroom Techniques In A Thermodynamics Course In Engineering Technology, Nathan Luetke, Orlando Ayala, Vukica Jovanovic

Engineering Technology Faculty Publications

Teaching undergraduate thermodynamics presents numerous challenges to educators due to its inherently complex and abstract nature. The vast array of applications in engineering requires educators to strike a balance between theoretical principles and practical examples, thereby creating a meaningful and applicable learning experience. This paper presents an approach to teaching an undergraduate thermodynamics course in engineering technology developed over four consecutive semesters blending traditional lecture-based teaching with flipped classroom techniques. The teaching methods used, and modifications made each semester are presented along with student performance.

Thermo-Elasto-Plastic Stability Of Biaxially Loaded Hollow Rectangular Section Steel Beam-Columns With Applied Torsion, George Adomako Kumi

Civil & Environmental Engineering Theses & Dissertations

Presented herein is an experimental and theoretical study of biaxially loaded hollow rectangular section steel beam-columns with applied torsion at elevated temperatures. The theoretical analysis is based on a system of simultaneous materially nonlinear differential equations of equilibrium for which an iterative semi-analytic solution approach is formulated. Although the primary goal of this research is to study the influence of elevated temperatures on the steel member with the complex loading, rigorous analysis is also conducted of the member at ambient temperature for comparison. The experimental part of the study involves conducting tests on the members at both ambient and high …

Type-B Energetic Processes: Introduction And Invitation To Special Issue Of Energies, James Weifu Lee, Daniel P. Sheehan

Chemistry & Biochemistry Faculty Publications

[First paragraph] Currently, there is substantial scientific evidence for the existence of Type-B energetic processes on Earth, such as the naturally occurring transmembrane-electrostatically localized protons (TELP) thermotrophic properties in life [1]. A number of groundbreaking human-made Type-B energetic processes, including (but not limited to) “asymmetric function-gated isothermal electricity production” [2], “epicatalysis generating a temperature difference between catalysis-asymmetric filaments” [3], “artificially made asymmetric membrane concentration cell” [4,5], “Fu’s experiment on heat–electric conversion using surface electron emission under a static magnetic field” [6], and the “dynamic processes in superconductors indicating Type-B energetic process” [7,8,9] have been invented and/or experimentally demonstrated. The innovative …

Type-B Energetic Processes: Their Identification And Implications, James Weifu Lee

Chemistry & Biochemistry Faculty Publications

We have now identified two thermodynamically distinct types (A and B) of energetic processes naturally occurring on Earth. Type-A energy processes, such as classical heat engines, apparently well follow the second law of thermodynamics; Type-B energy processes, such as the newly discovered thermotrophic function that isothermally utilizes environmental heat energy to perform useful work in driving ATP synthesis, follow the first law of thermodynamics (conservation of mass and energy) but do not have to be constrained by the second law, owing to their special asymmetric functions. Several Type-B energy processes such as asymmetric function-gated isothermal electricity production and epicatalysis have …

Effects Of Electron Beam Irradiation On Crmnv And Crmntiv High Entropy Alloys: Nano-Mechanical, Structural, And Thermodynamic Perspectives, N. A. Sultana, Y. S. Mohammed, S. J. Pendleton, J. Vennekate, G. Ciovati, X. Li, H. Baumgart, A. A. Elmustafa

Mechanical & Aerospace Engineering Faculty Publications

Beam exit windows are crucial components of any particle accelerator as they provide an interface between the beamline vacuum and target material at atmospheric media. For high beam power machines, special materials and designs are required to withstand high radiation and mechanical loads, while minimizing energy loss during transition and maximizing window lifetime. This research investigates the impact of electron beam exposure to bulk CrMnV and CrMnTiV high entropy alloys (HEAs) with the primary goal of identifying suitable candidate materials for the design of robust and durable exit window settings. The selection criteria include intrinsic characteristics, power dissipation, and mechanical …

Fugacity-Based Lattice Boltzmann Method For Multicomponent Multiphase Systems, Muzammil Soomro, Luis F. Ayala, Cheng Peng, Orlando M. Ayala

Engineering Technology Faculty Publications

The free-energy model can extend the lattice Boltzmann method to multiphase systems. However, there is a lack of models capable of simulating multicomponent multiphase fluids with partial miscibility. In addition, existing models cannot be generalized to honor thermodynamic information provided by any multicomponent equation of state of choice. In this paper, we introduce a free-energy lattice Boltzmann model where the forcing term is determined by the fugacity of the species, the thermodynamic property that connects species partial pressure to chemical potential calculations. By doing so, we are able to carry out multicomponent multiphase simulations of partially miscible fluids and generalize …

Outstanding Advantages, Current Drawbacks, And Significant Recent Developments In Mechanochemistry: A Perspective View, Silvina Pagola

Chemistry & Biochemistry Faculty Publications

Although known since antiquity, mechanochemistry has remained dormant for centuries. Nowadays, mechanochemistry is a flourishing research field at the simultaneous stages of gathering data and (often astonishing) observations, and scientific argumentation toward their analysis, for which the combination of interdisciplinary expertise is necessary. Mechanochemistry’s implementation as a synthetic method is constantly increasing, although it remains far from being fully exploited, or understood on the basis of fundamental principles. This review starts by describing many remarkable advantages of mechanochemical reactions, simplifying and “greening” chemistry in solutions. This description is followed by an overview of the current main weaknesses to be addressed …

More On The Demons Of Thermodynamics, Daniel P. Sheehan, Garret Moddel, James W. Lee

Chemistry & Biochemistry Faculty Publications

No abstract provided.

Fabrication Of Nb3Sn By Magnetron Sputtering For Superconducting Radiofrequency Application, Md Nizam Sayeed

Electrical & Computer Engineering Theses & Dissertations

Particle accelerators are considered as an important device that has wide applications in cancer treatment, sterilizing waste, preserving foods, ion implantation in semiconductor industry, and in production of isotopes for medical applications. Superconducting radiofrequency (SRF) cavities are the building blocks of a linear particle accelerator. Current particle accelerators use niobium (Nb) superconductors as the sheet material to fabricate a single SRF cavity for particle acceleration. With better superconducting properties (critical temperature T_c ~ 18.3 K, superheating field H_sh~ 400 mT), Nb₃Sn is considered a potential candidate in SRF technology. Magnetron sputtering is a promising deposition …

A Local Mode Study Of Ring Puckering Effects In The Infrared Spectra Of Cyclopentane, Edwin L. Sibert Iii, Peter F. Bernath

Chemistry & Biochemistry Faculty Publications

We report and interpret recently recorded high-resolution infrared spectra for the fundamentals of the CH₂ scissors and CH stretches of gas phase cyclopentane at −26.1 and −50 ^○C, respectively. We extend previous theoretical studies of this molecule, which is known to undergo barrierless pseudorotation due to ring puckering, by constructing local mode Hamiltonians of the stretching and scissor vibrations for which the frequencies, couplings, and linear dipoles are calculated as functions of the pseudorotation angle using B3LYP/6-311++(d,p) and MP2/cc-pVTZ levels of theory. Symmetrization (D_5h) of the vibrational basis sets leads to simple vibration/pseudorotation Hamiltonians whose solutions …

Type-B Energetic Processes And Their Associated Scientific Implications, James Weifu Lee

Chemistry & Biochemistry Faculty Publications

Recently, our work has identified two thermodynamically distinct types (A and B) of energetic processes naturally occurring on Earth. Type-A energy processes such as the classical heat engines, ATP hydrolysis, and many of the known chemical, electrical, and mechanical processes apparently follow well the second law of thermodynamics; Type-B energy processes, for example, the newly discovered thermotropic function that isothermally utilizes environmental heat energy to do useful work in driving ATP synthesis, follow the first law of thermodynamics (conservation of mass and energy) but do not have to be constrained by the second law, owing to its special asymmetric functions. …

A Parametric Analysis Of A Turbofan Engine With An Auxiliary Bypass Combustion Chamber – The Turboaux Engine, Kaleab Fetahi

Mechanical & Aerospace Engineering Theses & Dissertations

A parametric study of a novel turbofan engine with an auxiliary combustion chamber, nicknamed the TurboAux engine is presented. The TurboAux engine is conceived as an extension of a low-bypass turbofan engine with an auxiliary bypass annular combustion chamber around the core stream. The study presented in this thesis is motivated by the need to facilitate clean secondary burning of fuel at temperatures higher than conventionally realized, from air exiting the low-pressure compressor. The parametric study starts by analyzing the turbojet engine and its performance with and without an afterburner segment attached. Following that, the conventional turbofan and its mixing …

Parametric Study Of Residual Stresses In Wire And Arc Additive Manufactured Parts, Hisham Khaled Jamil Abusalma

Mechanical & Aerospace Engineering Theses & Dissertations

Wire and Arc Additive Manufacturing (WAAM) is a cost-effective additive manufacturing process due to its capability to fabricate large metal parts with high deposition rate and low equipment cost. Although this method is gaining popularity in manufacturing industry, more research is needed to understand process parameters’ effects on residual stress (RS) distribution and part distortion. As such, a 3D thermo-elastic-plastic transient model was established in ABAQUS and employed to investigate the effect of process parameters such as the torch speed, the deposition power and the interlayer dwell time on RS distribution and distortion in WAAM part. The numerical model utilized …

Energy Conservation And Heat Transfer Enhancement For Mixed Convection On The Vertical Galvanizing Furnace, Dan Mei, Yuzheng Zhu, Xuemei Xu, Futang Xing

Mechanical & Aerospace Engineering Faculty Publications

The alloying temperature is an important parameter that affects the properties of galvanized products. The objective of this study is to explore the mechanism of conjugate mixed convection in the vertical galvanizing furnace and propose a novel energy conservation method to improve the soaking zone temperature based on the flow pattern and heat transfer characteristics. Herein, the present study applied the k-ε two-equation turbulence model to enclose the Navier-Stokes fluid dynamic and energy conservation equations, and the temperature distributions of the steel plate and air-flow field in the furnace were obtained for six Richardson numbers between 1.91 ⋅ 10^{5 …}

Aerothermodynamic Analysis Of A Mars Sample Return Earth-Entry Vehicle, Daniel A. Boyd

Mechanical & Aerospace Engineering Theses & Dissertations

Because of the severe quarantine constraints that must be imposed on any returned extraterrestrial samples, the Mars sample return Earth-entry vehicle must remain intact through sample recovery. Vehicles returning on a Mars-Earth trajectory will attain velocities exceeding any that have been experienced by prior space exploration missions, with velocities approaching 14 km/s. Velocities as high as these will encounter significant heating during atmospheric re-entry to Earth.

The purpose of this study has been to systematically investigate the aerothermodynamic challenges that will result from a Mars sample return, Earth-entry vehicle design. The goal was to enable efficient estimation of maximum stagnation …

Analyzing The Spectral Energy Cascade In Turbulent Channel Flow, João Rodrigo Andrade, Ramon Silva Martins, Gilmar Mompean, Laurent Thais, Thomas B. Gatski

CCPO Publications

An analysis of the spectral turbulent kinetic energy budget in a fully developed turbulent plane channel flow is performed. Direct numerical simulation data are evaluated at friction Reynolds numbers Re_τ of 180 and 1000. The analysis is focused on the influence of the Reynolds number on the spectral cascade of energy and the corresponding energy cascade in physical space in the presence of inhomogeneity and anisotropy. The turbulent kinetic energy distribution is compared for both Reynolds numbers, and the relevant characteristics of the energy transfer process in a wall-bounded turbulent flow are described. Differences in energy cascade are noted …

Heat Transfer Enhancement In A Straight Channel Via A Rotationally Oscillating Adiabatic Cylinder, Ali Beskok, Mehrdad Raisee, Bayram Celik, Bedri Yagiz, Mohsen Cheraghi

Mechanical & Aerospace Engineering Faculty Publications

Heat convection from the uniformly heated walls of a straight channel in presence of a rotationally oscillating cylinder (ROC) is simulated at Re = 100. Heat transfer enhancement due to vortex shedding from the ROC is investigated. Systematic studies are performed to explore the rotation angle and frequency influences on heat transfer by varying the latter in range of the lock-in regime and the former from 0 to 2 π/3. All simulation results are based on the numerical solutions of two-dimensional, unsteady, incompressible Navier-Stokes and energy equations using an h/p type finite element algorithm. Considering time periodicity of the resulting …

Fourier Transform Emission Spectroscopy Of Yh And Yd: Observation Of New A¹Δ And B¹Π Electronic States, R. S. Ram, G. Li, P. F. Bernath

Chemistry & Biochemistry Faculty Publications

The emission spectra of YH and YD molecules have been investigated in the 3600–12 000 cm⁻¹ region using a Fourier transform spectrometer. Molecules were formed in an yttrium hollow cathode lamp operated with a continuous flow of a mixture of Ne and Ar gases, and YH and YD were observed together in the same spectra. A group of bands observed near 1 μm have been identified as 0-0 and 1-1 bands of the A¹Δ-X¹Σ⁺ and B¹Π-X¹Σ⁺ transitions of YH and the 0-0 bands of the same two transitions …

Scaling Properties At Freeze-Out In Relativistic Heavy-Ion Collisions, M. M. Aggarwal, Z. Ahammed, A. V. Alakhverdyants, I. Alekseev, J. Alford, B. D. Anderson, S. Bueltmann, I. Koralt, D. Plyku, Star Collaboration

Physics Faculty Publications

Identified charged pion, kaon, and proton spectra are used to explore the system size dependence of bulk freeze-out properties in Cu+Cu collisions at √sNN=200 and 62.4 GeV. The data are studied with hydrodynamically motivated blast-wave and statistical model frameworks in order to characterize the freeze-out properties of the system. The dependence of freeze-out parameters on beam energy and collision centrality is discussed. Using the existing results from Au + Au and pp collisions, the dependence of freeze-out parameters on the system size is also explored. This multidimensional systematic study furthers our understanding of the QCD phase diagram revealing the importance …

A Study Correlating Entropy Generation To Parameters Characterizing Thermal Comfort In A Conditioned Room, Sai Shrinivas Sreedharan

Mechanical & Aerospace Engineering Theses & Dissertations

Although significant advances have been made to analyze and study a room as an open thermodynamic system experiencing indoor airflow and heat exchanges with surroundings, studies incorporating entropy generation in the analysis have been sparse. This study focuses on correlating indoor thermal comfort with entropy generation, which hopefully will result in efficient utilization of energy supplied to the system. The problem that this thesis attempts to solve involves calculation of entropy production in conditioned space and its correlation to parameters that characterize thermal comfort. Thermal comfort in a conditioned space is governed by many thermal, mechanical and psychrometric parameters. The …

Entropy Generation Method To Quantify Thermal Comfort, S. C. Boregowda, S. N. Tiwari, S. K. Chaturvedi

Mechanical & Aerospace Engineering Faculty Publications

The present paper presents a thermodynamic approach to assess the quality of human-thermal environment interaction and quantify thermal comfort. The approach involves development of entropy generation term by applying second law of thermodynamics to the combined human-environment system. The entropy generation term combines both human thermal physiological responses and thermal environmental variables to provide an objective measure of thermal comfort. The original concepts and definitions form the basis for establishing the mathematical relationship between thermal comfort and entropy generation term. As a result of logic and deterministic approach, an Objective Thermal Comfort Index (OTCI) is defined and established as a …

Computation Of Flame Base Height Of A Turbulent Diffusion Flame Resulting From A Methane Jet, A. S. Kheireddine, S. K. Chaturvedi, T. O. Mohieldin

Mechanical & Aerospace Engineering Faculty Publications

This work summarizes numerical results for a diffusion flame formed from a cylindrical tube fuel injector, issuing a gaseous methane jet vertically in a quiescent atmosphere. The primary objective is to predict the flame base height and other flame characteristics as a function of the fuel jet velocity. A finite volume scheme is used to discretize the time-averaged Navier-Stokes equations for the reacting flow resulting from the turbulent fuel jet motion. The turbulent stresses, and heat and mass fluxes are computed from a Reynolds stress turbulence model. A chemical kinetics model involving two-step chemistry is employed for the oxidation of …

The Effectiveness Of Film Cooling In A Hypersonic Flowfield With Favorable Pressure Gradients, Julie A. Young

Mechanical & Aerospace Engineering Theses & Dissertations

The impetus of this technical document is to report results of aerothermodynamic cooling of a scramjet nozzle under favorable pressure gradients. The goals of film cooling are to protect the nozzle skin from the high enthalpy combustor flow, reduce regenerative cooling requirements, and decrease nozzle skin friction. A hypersonic nozzle configuration for which experimental data exists was selected as the basis of this numerical study. As a first step, the numerical results of film cooling along a flat plate are compared to previous literature to validate the numerical model. Subsequently, computations are performed to study the effects of varying the …

A Study Of The Thermodynamic And Heat Transfer Characteristics Of Two-Phase Two-Component Flow With Application To A Solar-Assisted Heat Pump, Walid A. Aziz

Mechanical & Aerospace Engineering Theses & Dissertations

Two-phase flow of single component refrigerants has been studied, theoretically and experimentally, for many CFCs, in many industrial applications, including the solar-assisted heat pump system. This study extends the thermodynamic and heat transfer analysis in the phase transition boiling region, to newly proposed refrigerant mixtures, which are candidates for replacing the classical CFCs for future HVAC applications. The goal of this study is to develop a methodology, to design the collector/evaporator tubes of a solar-assisted heat pump, using a binary refrigerant mixture as the working fluid. The method is implemented numerically as a computer algorithm. In order to do that, …

Effects Of Radiative Interactions In Molecular Gases Under Local And Nonlocal Thermodynamic Equilibrium Conditions, Manoj Kumar Jha

Mechanical & Aerospace Engineering Theses & Dissertations

Basic formulations, analyses, and numerical procedures are presented to investigate radiative heat interactions in diatomic and polyatomic gases under local and nonlocal thermodynamic equilibrium conditions. Essential governing equations are presented for both gray and nongray gases. Information is provided on absorption models, relaxation times, and transfer equations. Radiative flux equations are developed which are applicable under local and nonlocal thermodynamic equilibrium conditions.

The problem is solved for fully developed laminar incompressible flows between two parallel plates under the boundary condition of a uniform surface heat flux. For specific applications, three diatomic and three polyatomic gases are considered. The results are …

Analysis Of Heat Pump Cycles Using Thermodynamic Equations Of State, Stephen C. Ericson

Mechanical & Aerospace Engineering Theses & Dissertations

In this study, thermal performance of heat pump cycles is analyzed by employing several equations of state. The analysis presented here is particularly useful for applications where refrigerant properties need to be calculated from a thermodynamic equation of state. Such a situation, for example, would arise during a long-term numerical simulation of a solar-assisted heat pump system. In these cases, the direct use of thermodynamic property tables of refrigerants would not be possible in a computational procedure. The approach of using equations of state to predict thermodynamic properties is also useful for applications where new refrigerants or blends of refrigerants …

Transient Simulation Of A Trombe Wall Passive Heating System Coupled To A Thermally Stratified Room, Ali Saleh Kheireddine

Mechanical & Aerospace Engineering Theses & Dissertations

Thermal performance of a Trombe-wall space heating system has been studied numerically for one-day and multiple-day periods. This study analyzes the system performance by simultaneously considering the coupled nature of the channel convection, wall heat conduction and transient room energy balance. A computer program has been written and implemented to assess the effects of system parameters, weather conditions and peak temperature control strategies on the system performance.

The system performance is influenced by such system parameters as the storage wall thickness, channel width and the temperature stratification in the room. Increasing the wall thickness decreases the temperature swings considerably, but …

Thermal Characterization Of Carbon Monoxide Oxidation Catalysts Using Thermogravimetric Analysts And Differential Scanning Calorimetry, Rene A. Bartgis

Chemistry & Biochemistry Theses & Dissertations

Catalysts composed of platinum and/or palladium on tin (IV) oxide supports, with and without silica gel, as well as catalysts composed of gold on manganese oxide, have been developed for the recombination of carbon monoxide and oxygen to form carbon dioxide for use in carbon dioxide lasers. A thermogravimetric method and a differential scanning calorimetric method have been developed for the thermal characterization of these catalysts. The mass loss data and the enthalpy changes determined as the catalysts lost water were then related to existing activity data for these catalysts. No relationship was found between the thermal data and the …