Thermodynamics Commons^™

Ice-Templated Zwitterionic Sponge Hydrogels For Stable And Efficient Solar Desalination In High-Salinity Brines, Louis D. Zhang, Yanhui Zhang, Peng Xiao, Chang Zhang

University Research

Solar-driven steam generation (SSG) offers a sustainable pathway for desalination, yet achieving temperature-regulated control over macroporous structures in salt-tolerant hydrogels remains a critical challenge. Here, we report a carbon black-coated PDMAPS sponge hydrogel (PDMAPS-CB-SH) fabricated via an ice-templated polymerization strategy, where the pore size and connectivity are tuned by regulating ice-crystal growth at different prefreezing temperatures. The optimized PDMAPS-CB-SH integrates abundant interconnected pores with the intrinsic antipolyelectrolyte effect of zwitterionic networks, enabling rapid water transport and stable swelling in brines up to 10 wt % NaCl. Upon incorporation of carbon black nanoparticles, the hydrogel evaporator achieves a high evaporation rate …

Advancing Sustainable Co2 Mitigation: Experimental And Computational Analysis Of Thermal Carbon Chitosan Sorbent For Automotive Exhaust Capture, Dalia A. Ali Dr., Amir Ahmed Elgamal Eng., Rania Rushdy Moussa Dr.

Chemical Engineering

This study investigated the efficiency of thermal carbon chitosan (TCCS) sorbent for CO2 capture from vehicle exhaust emissions within a designed adsorption system. TCCS was synthesized and meticulously characterized using a series of analytical techniques, including Brunauer-Emmett-Teller (BET) surface area analysis, Scanning Electron Microscopy (SEM), Fourier Transform Infrared Spectroscopy (FTIR), X-ray Diffraction (XRD), Ther- mogravimetric Analysis (TGA), Energy Dispersive X-ray Spectroscopy (EDX), and Differential Scanning Calo- rimetry (DSC). The TCCS adsorbent showed high thermal stability and a heating value (HHV) of 23.5 MJ/kg. Adsorption isotherm study demonstrated that the maximum capacity of CO2 adsorption is 0.084 kg.CO2/kg. TCCS, as well …

Experimentally Driven Numerical Model Of Carbon/Polyaniline-Based Glucose Monitoring Sensors: An Evaluation Using A New Figure Of Merit, Ziad Khalifa, Kyrillos Selim, Amira Ali, Sameh Abdellatif

Chemical Engineering

This study presents an experimentally driven numerical model for evaluating carbon/polyaniline (PANI)- based glucose monitoring sensors (GMSs), focusing on innovative configurations using graphene-PANI and carbon nanotube (CNT)-PANI composites. We performed a thorough analysis of the morphological, electrophysical, and electrical properties of these materials, ultimately leading to the extraction of key electrical parameters for integration into a finite element model (FEM). This model simulates the entire sensor, enabling the estimation of critical performance metrics such as sensitivity, limit of detection (LOD), linearity, and power consumption. Our findings demonstrate that the CNT-PANI configuration significantly outperforms the laser-induced graphene (LIG)-PANI electrode, achieving a …

The Effects Of Snow Cover On The Dynamic Pressure Of Nuclear Detonation Blast Waves, Adam Card, Andrew W. Decker

Faculty Publications

Blast pressure is the primary military targeting metric for nuclear weapons. Any local conditions that affect blast pressure have the potential for altering nuclear plans, both from defensive and offensive standpoints. Understanding the impact of snow to the blast wave, therefore, provides a benefit both to military planners and to warfighters on the ground, for any operation occurring in arctic environments. No existing data provides a quantitative description of how snow on the ground affects a nuclear detonation blast wave passing over it. Similar blast waves passing over dust have experimentally proven to enhance blast pressure in a localized region.1 …

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.

Novel Nanocomposite Of Carbonized Chitosan-Zinc Oxide-Magnetite For Adsorption Of Toxic Elements From Aqueous Solutions, Dalia A. Ali Eng, Ganna Gaber Ismail Eng.

Chemical Engineering

Herein, a novel nanocomposite (carbonized chitosan-zinc oxide-magnetite, CCZF) was developed to effectively remove toxic elements in water remediation. Combining the high adsorption capacities of chitosan with the magnetic properties of magnetite and the chemical stability of zinc oxide, the combination of these unique properties makes it an efficient and versatile material that offers a sustainable solution for water purification. The (CCZF) nanocomposite was synthesized through the coprecipitation method and characterized using various techniques, including scanning electron microscopy (SEM), transmission electron microscopy (TEM), Brunauer–Emmett–Teller (BET) analysis, X-ray diffraction (XRD), Fourier transform infrared (FTIR) spectroscopy, and zeta potential analysis. The results showed …

The Impact Of Film Cooling On The Heat Release Within A Rotating Detonation Combustor, Shreyas Ramanagar Sridhara, Antonio Andreini, Marc D. Polanka, Myles D. Bohon

Faculty Publications

Rotating detonation combustors establish a detonation wave that continuously circulates inside a small annulus. The presence of the detonation wave and the downstream oblique shock within the small annulus coupled with high mass flow induces a high heat load to the combustor wall. Preliminary analysis shows that for higher thermal power, internal air cooling alone is not sufficient to remove the heat out of the walls to maintain them below the maximum temperature of the metal. A possible solution is to use film cooling to reduce the heat flux to the combustor walls. One issue, though, is that the introduction …

Efficient Phosphate Removal From Water Using Ductile Cast Iron Waste: A Response Surface Methodology Approach, Mai Hassan Dr., Nada Alkhashab Eng., Ahmed Osman Dr., Dalia A. Ali Eng

Chemical Engineering

Water scarcity is a critical issue worldwide. This study explores a novel method for addressing this issue by using ductile cast iron (DCI) solid waste as an adsorbent for phosphate ions, supporting the circular economy in water remediation. The solid waste was characterized using XRD, XRF, FTIR, and particle size distribution. Wastewater samples of different phosphate ion concentrations are prepared, and the solid waste is used as an adsorbent to adsorb phosphate ions using different adsorbent doses and process time. The removal percentage is attained through spectrophotometer analysis and experimental results are optimized to get the optimum conditions using Design …

Green Synthesis Of Carbonized Chitosan-Fe3o4-Sio2 Nano-Composite For Adsorption Of Heavy Metals From Aqueous Solutions, Dalia A. Ali Eng, Rinad Galal Ali Eng.

Chemical Engineering

Water pollution with heavy metals owing to industrial and agricultural activities have become a critical dilemma to humans, plants as well as the marine environment. Therefore, it is of great importance that the carcinogenic heavy metals present in wastewater to be eliminated through designing treatment technologies that can remove multiple pollutants. A novel green magnetic nano-composite called (Carbonized Chitosan-Fe3O4-SiO2) was synthesized using Co-precipitation method to adsorb a mixture of heavy metal ions included; cobalt (Co2+), nickel (Ni2+) and copper (Cu2+) ions from aqueous solutions. The novelty of this study was the synthesis of a new

nano-composite which was green with …

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 …

Ltspice Modeling For Gan-Git Hemt Including Cryogenic Temperature, Md Maksudul Hossain, Yuqi Wei, H. Alan Mantooth

Electrical Engineering Faculty Publications and Presentations

Highly efficient electrically driven avionics have led to a renewed interest in cryogenic propulsion systems with the goal of reducing carbon emission footprint. Although cryogenic converters promise better efficiency and improved power density, the successful design is incumbent upon the appropriate switching device selection and simulation-based analyses prior to initial prototyping. In this work, a datasheet-driven compact model for a gallium nitride (GaN) Gate Injection Transistor (GIT) has been proposed and implemented in LTspice, a versatile, high performance, and free circuit simulator in order to investigate the merit of the chosen device in a power electronic system.

Gan Hemt And Air Core Magnetics Based Power Converters Evaluations At Cryogenic Temperature, Yuqi Wei, Md Maksudul Hossain, H. Alan Mantooth

Electrical Engineering Faculty Publications and Presentations

Cryogenic power electronics is both advantageous and indispensable in many applications, like deep space probe, military electric vehicle, magnetic resonance imaging etc. Among different semiconductors, the gallium nitride (GaN) high electron mobility transistor (HEMT) is the most promising candidate for cryogenic applications with significant conduction loss and switching loss reductions. Moreover, there is no carrier freeze out effect for the GaN HEMTs, which is applicable in extreme low temperature operating conditions. In this work, the efficiency of GaN HEMTs based power converters with different power levels (from several Watts to several kiloWatts) are evaluated at cryogenic temperature. Three different commercial …

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 …

Freestanding Graphene Heat Engine Analyzed Using Stochastic Thermodynamics, J. Durbin, J. M. Mangum, M. N. Gikunda, F. Harerimana, P. Kumar, L. L. Bonilla, P. M. Thibado

Physics Faculty Publications and Presentations

We present an Ito-Langevin model for freestanding graphene connected to an electrical circuit. The graphene is treated as a Brownian particle in a double-well potential and is adjacent to a fixed electrode to form a variable capacitor. The capacitor is connected in series with a battery and a load resistor. The capacitor and resistor are given separate thermal reservoirs. We have solved the coupled Ito-Langevin equations for a broad range of temperature differences between the two reservoirs. Using ensemble averages, we report the rate of change in energy, heat, and work using stochastic thermodynamics. When the resistor is held at …

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.

Chemical Thermodynamics—A Practical Wonderland, Rubin Battino, Trevor M. Letcher

Chemistry Faculty Publications

Chemical thermodynamics is frequently thought of as being a hard subject and quite abstract. In fact, it is one of the most practical of subjects when you consider that the field of chemical engineering (responsible for endless useful applications) is effectively applied chemical thermodynamics. In this essay, examples of these applications are given, especially with respect to sustainability. The essay first considers the limits of thermodynamics and the constraints put on it in terms of the rigorous definitions of the principal function’s energy, entropy, and Gibbs energy.

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. …

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 …

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 …

Experimental Heat Transfer Investigations Of A Double Pipe U-Tube Heat Exchanger Equipped With Twisted Tape And Cut Twisted Tape Internals, Raj Kumar Nayak Maloth, Glen Cletus Dsouza, Swarna Mayee Patra

Mechanical and Materials Engineering Publications

For several decades, the use of heat exchangers for both heating and cooling applications has been established in industries ranging from process to space heating. Out of the various types of heat exchangers, U-tube heat exchangers are preferred owing to their abilities to handle larger flowrates and their simplicity in construction. U-tube exchangers are often equipped with innards of various forms which facilitate higher heat transfer rates and thermal efficiencies. Although higher heat transfer rates have been established with the addition of internals, there is a lack of coherence on the underlying complex physical phenomena such as heat transfer boundary …

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 …

Graphical Design And Analysis Of Mass Exchange Networks Using Composition Driving Forces, Nessren Mohamed Farrag, Dina Ahmed Kamel, Ayat Ossama Ghallab, Mamdouh Ayad Gadalla, Mai Kamal Fouad

Chemical Engineering

Pinch analysis is a methodology for minimizing energy and mass consumption in different industries. It has been widely applied for more efficient processes. This study presents a new graphical-approach to analyze and design Mass Integration (MI) and exchange networks that follows Pinch principles to guarantee maximum mass recovery with minimum losses. This technique uses the composition driving forces in network representation as it rules the mass transfer between streams. The proposed approach can be applied on both existing mass networks as well as new ones. This graphical representation a visual descriptive design tool to describe and explain the details of …

Ultrafast Thermal Modification Of Strong Coupling In An Organic Microcavity, Bin Liu, Vinod M. Menon, Matthew Y. Sfeir

Publications and Research

There is growing interest in using strongly coupled organic microcavities to tune molecular dynamics, including the electronic and vibrational properties of molecules. However, very little attention has been paid to the utility of cavity polaritons as sensors for out-of-equilibrium phenomena, including thermal excitations. Here, we demonstrate that non-resonant infrared excitation of an organic microcavity system induces a transient response in the visible spectral range near the cavity polariton resonances. We show how these optical responses can be understood in terms of ultrafast heating of electrons in the metal cavity mirror, which modifies the effective refractive index and subsequently the strong …

A Computational Investigation Of The Interstitial Oxidation Thermodynamics Of A Mo-Nb-Ta-W High Entropy Alloy Beyond The Dilute Regime, Adib J. Samin

Faculty Publications

High entropy alloys (HEAs) are promising candidates for high-temperature structural material applications. Oxidation is a major factor that must be accounted for when designing such materials and it is thus important to study the oxidation behavior of HEAs to enable the optimum design of next generation materials. In this study, the thermodynamic behavior of interstitial oxygen in a Mo-Nb-Ta-W high entropy alloy was explored beyond the dilute limit. This was accomplished by sampling configurations of the HEA and HEA-oxygen systems from an isothermal–isobaric ensemble using a series of first-principle-based Monte Carlo simulations. It was found that the interstitial oxygen had …