Chemical Engineering Commons^™

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: 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 …

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

Chemistry & Biochemistry Faculty Publications

No abstract provided.

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 …

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 …

What Difference Does A Catalyst Make?, Tammy Guthrie, Mike Jackson, Holly Haney

High School Lesson Plans

Students will use different catalysts for the decomposition of Hydrogen Peroxide, to determine if different catalysts affect the energy that is generated during the reaction.

Semi-Lagrangian Implicit Bhatnagar-Gross-Krook Collision Model For The Finite-Volume Discrete Boltzmann Method, Leitao Chen, Sauro Succi, Xiaofeng Cai, Laura Schaefer

Publications

In order to increase the accuracy of temporal solutions, reduce the computational cost of time marching, and improve the stability associated with collisions for the finite-volume discrete Boltzmann method, an advanced implicit Bhatnagar-Gross-Krook (BGK) collision model using a semi-Lagrangian approach is proposed in this paper. Unlike existing models, in which the implicit BGK collision is resolved either by a temporal extrapolation or by a variable transformation, the proposed model removes the implicitness by tracing the particle distribution functions (PDFs) back in time along their characteristic paths during the collision process. An interpolation scheme is needed to evaluate the PDFs at …

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 …}

Fabrication Of Polyvinylidene Fluoride Hollow Fiber Membranes For Membrane Distillation, Abdullah Al Balushi

Department of Chemical and Biomolecular Engineering: Dissertations, Theses, and Student Research

Desalination technologies can help humanity tap into the most abundant source of water on earth, seawater; however, desalination is an energy-demanding process. Most of the desalination plants worldwide use conventional energy resources; therefore, desalination leaves a large carbon footprint. Solar energy is an available source of energy that can be harvested and integrated into desalination systems.

Membrane distillation (MD) is an emerging purification technology that many offers many advantages over traditional desalination systems. For starters, it can utilize low-grade thermal energy to drive the separation, therefore, it can be suitably integrated into the solar-thermal energy scheme. Additionally, MD can be …

Energy Transformation And Conservation Investigation, Mike Jackson, Holly Haney

High School Lesson Plans

Students will use a thermoelectric generator module to analyze the relationship between thermal and electrical energies. Using data collection sensors and analysis software, students will investigate the relationship between the temperature gradient across a thermoelectric generator module and the resulting electrical potential. Students will then use their data and analysis to solve problems relating to waste thermal energy in electrical systems and communicate their work to their peers and teacher.

Highly Effective Geni Alloy Contact Diffusion Barrier For Bisbte Long-Term Thermal Exposure, Erdong Song, Brian S. Swartzentruber, Chowdary R. Koripella, Julio A. Martinez

Publications and Research

A GeNi alloy diffusion barrier for contacts on bismuth antimony telluride is proposed. Multiple gold contact diffusion barriers were tested at different thermal aging conditions in air and reducing atmospheres. Among all diffusion barriers, the GeNi alloy barrier shows the best performance for bulk samples with no substantial degradation of the contact resistance, no contact color change, and no change of thermoelectric properties. We observed DAu−GeNi = (9.8 ± 2.7) × 10−20 m2/s within the GeNi alloy barrier, which is 4 times smaller than DAu−BiSbTe. The presence of the initial Ge layer also proves to be effective in reducing nickel …

Empirical Modeling Of Urea Synthesis Chemical Equilibria, Moustafa A. Soliman

Chemical Engineering

In this paper empirical formulas for the chemical equilibrium of reactions involved in urea synthesis are derived. Their accuracy is checked against data obtained from the application of Aspen Plus to a urea plant based on Stamicarbon technology. The accurate results obtained support their application in the simulation of the reactions involved in urea synthesis.

Air Temperatures Tutorial, Nihad E. Daidzic

Aviation Department Publications

No abstract provided.

What Can I Do As A Student To Make A Positive Impact On The Environment?, Tammy Guthrie, Greg Herzig, Kathy Prophet, Cassie Kautzer

Middle School Lesson Plans

Students discover ways they can make a positive impact on the environment.

Properties Of Matter, Mike Jackson, Holly Haney

High School Lesson Plans

Students will investigate the relationship(s) between thermal and electrical properties of matter. First, students will use a multimeter and temperature probe to investigate the relationship between electrical resistance and temperature of an electrical resistor composed of metals. They will then graph collected data to analyze the relationship and draw a conclusion as to their relationship. They will then perform the same investigation on a thermal resistor made of a semiconducting substance and analyze that collected data. Finally, using ClaimEvidence-Reasoning (CER) structure, students will use their experimental evidence to state the similarities and differences between the electro-thermal properties of metals and …

Thermal Removal Of Carbon Dioxide From The Atmosphere: Energy Requirements And Scaling Issues, Ted Von Hippel

Publications

I conduct a systems-level study of direct air capture of CO2 using techniques from thermal physics. This system relies on a combination of an efficient heat exchanger, radiative cooling, and refrigeration, all at industrial scale and operated in environments at low ambient temperatures. While technological developments will be required for such a system to operate efficiently, those developments rest on a long history of refrigeration expertise and technology, and they can be developed and tested at modest scale. I estimate that the energy required to remove CO2 via this approach is comparable to direct air capture by other techniques. The …

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 …

Onsager Reciprocal Relations: Microscopic (Onsager) Or Macroscopic (Sliepcevich), R. E. "Buddy" Babcock

Chemical Engineering Faculty Publications and Presentations

This paper is a combination of the discussion of two nineteenth century theoretical giantsLars Onsager and C. M. Sliepcevich, their works in general, and specifically the famousreciprocal relations of Onsager with respect to irreversible thermodynamics. Emphasis isplaced on their penetrating depth and breadth of analysis so inherently necessary in theirproblem-solving endeavors. The landscape of their work will be laid out for the readerby a comparison of Onsager’s microscopic statistical mechanics derivation of the famousreciprocal relationships and a macroscopic thermodynamic derivation published by C. M.Sliepsevich that led to considerable discussion in the literature in the 1960’s. Somelabelled this discussion a controversy; …

Thermodynamics Of Concentrated Solid Solution Alloys, Michael C. Gao, Chuan Zhang, Pan Gao, Fan Zhang, Lizhi Ouyang, Michael Widom, Jeffrey A. Hawk

Mathematical Sciences Faculty Research

This paper reviews the three main approaches for predicting the formation of concentrated solid solution alloys (CSSA) and for modeling their thermodynamic properties, in particular, utilizing the methodologies of empirical thermo-physical parameters, CALPHAD method, and first-principles calculations combined with hybrid Monte Carlo/Molecular Dynamics (MC/MD) simulations. In order to speed up CSSA development, a variety of empirical parameters based on Hume-Rothery rules have been developed. Herein, these parameters have been systematically and critically evaluated for their efficiency in predicting solid solution formation. The phase stability of representative CSSA systems is then illustrated from the perspectives of phase diagrams and nucleation driving …

Computational Modeling Of High-Entropy Alloys: Structures, Thermodynamics And Elasticity, Michael C. Gao, Pan Gao, Jeffrey A. Hawk, Lizhi Ouyang, David E. Alman, Mike Widom

Mathematical Sciences Faculty Research

This article provides a short review on computational modeling on the formation, thermodynamics, and elasticity of single-phase high-entropy alloys (HEAs). Hundreds of predicted single-phase HEAs were re-examined using various empirical thermo-physical parameters. Potential BCC HEAs (CrMoNbTaTiVW, CrMoNbReTaTiVW, and CrFeMoNbReRuTaVW) were suggested based on CALPHAD modeling. The calculated vibrational entropies of mixing are positive for FCC CoCrFeNi, negative for BCC MoNbTaW, and near-zero for HCP CoOsReRu. The total entropies of mixing were observed to trend in descending order: CoCrFeNi > CoOsReRu > MoNbTaW. Calculated lattice parameters agree extremely well with averaged values estimated from the rule of mixtures (ROM) if the same crystal …