Dft Study Of Vanadyl Acetylacetonate Complexes With Benzimidazole Derivatives And 2-Mercaptobenzothiazole, Xolida Jabborova, Shahlo Sh. Daminova

CHEMISTRY AND CHEMICAL ENGINEERING

The geometric and electronic structures of the mixed-ligand complexes [VO(AcAc)₂MBT], [VO(AcAc)₂AFBI] and [VO(AcAc)₂FBI] (MBT is 2-mercaptobenzothiazole, AFBI is 2-aminophenyl-1H-benzimidazole, FBI is 2-phenylmethyl-1H-benzimidazole) were studied by density functional theory ((U)B3LYP/6-311G(d,p)/LanL2DZ, Gaussian 09W). The MBT molecule was found to be planar, whereas in AFBI and FBI the NH group is coplanar with the imidazole ring. Analysis of effective atomic charges and molecular electrostatic potential maps shows that the pyridine-type nitrogen atoms of the imidazole and thiazole rings (q = −0.355 to −0.301 e) are the most probable coordination sites for the vanadyl ion. The HOMO–LUMO energy …

Valorization Of Spent Vanadium Pentoxide Catalyst From The Sulfuric Acid Industry As An Economical Adsorbent For Crystal Violet Removal, Ibrahim Hamad Mr., Saddam Alaskary Mr., Abdel El-Mohsen Turky Prof., Nasser Mostafa Prof., Mai Hassan Roushdy Dr.

Chemical Engineering

Around 150 000–200 000 tons of spent vanadium pentoxide catalyst (SVC) are generated annually by sulfuric acid plants and are landfilled for $80–150 per ton. It is demonstrated here as an unmodified, zero-cost adsorbent achieving 94.5% ± 0.3% crystal violet (CV) removal at an adsorbent dose of 6.3 g L−1 and an initial concentration of 38.5 mg L−1 , corresponding to a working capacity of 6.1 ± 0.2 mg g−1 with zero material cost and no pretreatment requirement. Physicochemical characterization by XRF, XRD, BET analysis, DLS, SEM-EDX, FTIR spectroscopy, TGA, Raman spectroscopy, X-ray photoelectron spectroscopy (XPS), and zeta potential analysis …

Phosphate Removal By Spent Low Temperature Shift Catalyst Through Process Optimization And Mechanistic Study, Fatma A. Hashem Eng., Abeer M. Shoaib Prof., Walaa Omar Dr., Mai H. Roushdy

Chemical Engineering

Natural water bodies become eutrophic due to phosphate pollution from industrial and agricultural sectors. This research addresses waste disposal and water pollution at the same time by recycling spent low-temperature shift catalyst (LTSSC) from the fertilizer industry as a sustainable phosphate adsorbent. High surface area (247±5 m2/g), mesoporous structure, and many metal oxide sites (CuO 49%, ZnO 32.2%, and Al2O₃ 13.9%) were shown by characterization using XRF, XRD, BET, SEM–EDX, FTIR, particle size analysis, and zeta potential. Under optimum conditions (contact time 1.64 h, dose 5 g/L, initial concentration 9.58 mg/L, stirring 278 rpm), Response Surface Methodology optimization achieved 92.95±2.8% …

Development And Uncertainty Assessment Of Secondary Method For Ph Measurement In Physicochemical Measurements, Sarvar Rakhmatullaev, Dostonbek Xujakulov, Mohinur Nigmatova

Chemical Technology, Control and Management

In physicochemical measurements across various industries, laboratory analyses commonly require the determination of pH as an indicator of hydrogen ion activity in aqueous solutions. Ensuring the accuracy and reliability of these measurements, obtaining precise readings from pH measuring instruments, and maintaining overall measurement quality represent critical challenges in guaranteeing the safety of both products and processes. This requires constant monitoring, accuracy assessment, calibration, metrological verification, and control of measuring instruments. In this case, it should be carried out not with solutions prepared in any laboratory, but with certified reference materials (СRM) with appropriate regulatory framework, ensuring metrological observation. …

Synergistic Reinforcement Of Lignin–Chitosan Hydrogels Using Vanillin As A Sustainable Green Crosslinker, Moses Ayitey-Adjin Jr., Mohammad Jahid Hasan, Jeremy Erb, Kishore Chand, Garry S. Crosson, Kenya Crosson, Esteban Ureña-Benavides, Erick Salvador Vasquez-Guardado

Chemical and Materials Engineering Faculty Publications

While bio-based hydrogels derived from lignin and chitosan are promising sustainable adsorbents, their practical application is hindered by poor mechanical stability. This study addresses this limitation by synthesizing lignin-chitosan hydrogels using vanillin as a green, bio-derived crosslinker via a facile solution-casting method. The formation of imine (Schiff base) linkages between the aldehyde groups of vanillin and the primary amines of chitosan was confirmed by FTIR spectroscopy (C = N stretching at ~ 1602 cm^− 1). SEM and TGA results demonstrated a reduction in the pore size of the crosslinked hydrogel and an enhanced residual thermal mass. Rheological and …

Neural Network Technologies In The Automatical Control Systems Of Absorption Process For Pureficating Natural Gas, Abdishukurov Maqsudovich Shavkat Mr, Xuecheng Li Li Xuecheng Mr

Technical science and innovation

Analysis of methods and algorithms for synthesizing adaptive control systems for technological processes based on the neural network approach is carried out in this search. The stages of mathematical modeling of complex technological processes using neural network technology were considered. Additionally, an algorithm for solving the interpolation and extrapolation problem that arises in the training process a neural network to control system was proposed. At the final stage of this article, algorithms based on neural network technology are synthesized for the control system for the parameters of the technological process of natural gas purification by absorption

Magnetic Cellulose Nanocrystal Composites: Synthesis, Properties, Applications, And Opportunities, Mohammad Jahid Hasan, Kishore Chand, Esteban E. Ureña-Benavides, Erick S. Vasquez-Guardado

Chemical and Materials Engineering Faculty Publications

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Magnetic Cellulose Nanocrystal Composites: Synthesis, Properties, Applications, and Opportunities

Integrasi Metodologi Hazop Dalam Pengendalian Risiko Dan Keberlanjutan Operasional Pada Unit Pemulihan Urea: Studi Kasus Pada Industri Pupuk, Riny Yolandha Parapat, Arin Nur'aini Putri, Aryasatya Ramadhan Sukresno

National Journal of Occupational Health and Safety

The fertilizer industry is one of the chemical sectors with high-risk potential due to its operational processes involving hazardous materials as well as extreme pressure and temperature conditions. This study aims to identify and analyze hazards in the urea recovery unit using the Hazard and Operability Study (HAZOP) method, while also formulating effective risk control strategies to support the operational sustainability of the plant. The study was conducted directly at a commercial fertilizer plant in West Java using a semi-quantitative approach, which included field observations, review of technical documents such as Process Flow Diagrams (PFD), Piping and Instrumentation Diagrams (P&ID), …

Polymer-Derived Silicon Oxycarbide (Sioc) And Silicon Carbonitride (Sicn) Ceramics For Advanced Electrochemical Energy Storage Applications, Saja Al Ajrash, Erick S. Vasquez-Guardado

Chemical and Materials Engineering Faculty Publications

Preceramic polymers, especially silicon oxycarbide (SiOC) and silicon carbonitride (SiCN) ceramics, have gained significant attention due to their wide range of applications in many fields, particularly in energy storage devices beyond conventional lithium-ion batteries (LIBs). This review focuses on the synthesis, structural characteristics, and properties of SiOC and SiCN ceramics as electrodes for battery applications. Furthermore, their promising applications as electrode materials for energy storage systems are explored, along with the most recent advances in the development of such materials and their use in lithium-ion batteries (LIBs), lithium-sulfur batteries (LSBs), potassium-ion batteries (PIBs), sodium-ion batteries (SIBs), and supercapacitors. This review …

High-Surface-Area Ficus Leaf-Extracted Cuo-Zno-Nio Ternary Nanocomposites For Rapid Adsorption-Assisted Uv-A Degradation Of Direct Blue 15, Kafa’A H. Ali, Mohammed A. Atiya, Ahmed K. Hassan

Karbala International Journal of Modern Science

Direct Blue 15 (DB15) is a long-lasting synthetic dye that pollutes water and is difficult to remove during wastewater treatment. Conventional treatments fail to remove DB15 adequately due to rapid electron-hole recombination, which necessitates photocatalysts with reduced recombination rates for effective dye removal. The study aims to synthesize and evaluate a CuO-ZnO-NiO ternary system as an integrated adsorption and UV-A photocatalysis platform for DB15 removal. Ficus leaf-extracted CuO-ZnO-NiO nanocomposites with four Cu:Zn:Ni ratios (1:1:1, 1:1:2, 1:2:1, 2:1:1) were prepared by co-precipitation, followed by extensive chemical and physical characterization and dye-removal performance measurements. The CuO-ZnO-NiO nanocomposite exhibited hexagonal zinc oxide, cubic …

Valorization Of Ductile Cast Iron Solid Waste As A High-Performance Adsorbent For Crystal Violet Removal: Characterization, Optimization, And Mechanistic Insights, Ibrahim Ibrahim Mr., Abdel Mohsen Turky Dr., Nasser Mostafa Prof., Mai H. Roushdy

Chemical Engineering

Industrial textile wastewater containing synthetic dyes cause serious environmental and health risk, whereas ductile cast iron (DCI) foundries generate over 500 000 tons of waste annually. This study utilizes DCI solid waste as an adsorbent to remove the crystal violet (CV) dye from wastewater. Techniques (XRF, XRD, BET, SEM-EDX, FTIR, TGA-DTG, zeta potential) proved that the waste contains 88.0 wt% periclase (MgO) with nanoscale, high surface area, and abundant surface hydroxyl groups. Response surface methodology showed that the most significant parameters were the adsorbent dose and time contact. The optimal conditions give 93.7% removal efficiency at initial concentration: 38.7 mg …

Optimization And Safety Protocols For An Acetone Production Plant, Holley J. Garrison

Honors Theses

The proposed acetone production plant, scheduled for start-up in 2028, is capable of producing 3,750 kg/h of 99.9 wt% acetone. Using an endothermic catalytic dehydrogenation reaction, a feed of isopropyl alcohol (IPA) is reacted to produce 30,000 metric tons per year (MT/y) of acetone. Initial design and economic analysis of this process found that this plant will not be economically viable due to its Net Present Value (NPV) of -$132M. Optimization efforts prioritized reductions in raw materials and improved product recovery. Several optimizations were performed to reduce the feed rate, including switching to the low temperature catalyst, shortening the reactor …

Optimization And Dynamic Control Of Acetone Production From Isopropyl Alcohol, Thomas W. Wasson

Honors Theses

This paper investigates the optimization and dynamic control of acetone production via catalytic dehydrogenation of isopropyl alcohol. Optimization was conducted using steady-state Aspen Plus modeling with product specifications of 30,000 metric tons per year of 99.9% pure acetone by weight. Dynamic modeling of the feed preparation and reaction portions of the process was conducted in Aspen Plus Dynamic. Through optimization efforts the primary economic factor, net present value (NPV), was increased from $(126.6) million to $(83.2) million, representing a $43.4 million increase. This was primarily accomplished through a switch to low temperature catalyst, optimization of reactor dimensions, pressurization of key …

Shooting For The Stars: Stem Outreach Strategies Between 2nd And 7th Grade, Paige Miller

Chemical Engineering Undergraduate Honors Theses

Engineering and planetary science outreach programs are increasingly important as industries and research organizations face growing demand for STEM professionals. Despite the importance of these fields, many students receive little exposure to engineering careers during their early educational experiences. This honors thesis examines the effectiveness of interactive STEM outreach presentations designed for elementary and middle school students. Specifically, this study evaluates outreach activities centered on chemical engineering applications and the NASA M2M CO₂ regeneration project for Martian environments.

Two student age groups participated in this study: 2nd grade students at Butterfield Elementary School and 7th grade students at Woodland Junior …

Design Of Aluminum-Air Battery Systems And Optimization Of Cetyltrimethylammonium Bromide And 8-Hydroxyquinoline Additives In Alkaline Electrolytes, Steve Chen

Chemical Engineering Undergraduate Honors Theses

The first portion of this thesis focuses on the design and component optimization of aluminum-air batteries to power a car for the Chem-E-Car competition. A range of separators, cathodes, and current collectors was evaluated to determine the optimal configuration for maximizing output. The resulting system consisted of 1000 series aluminum as the anode, cellulose separators saturated in 1 M potassium hydroxide as the electrolyte, and composite PVDF and graphite as the cathode. The improved batteries achieved a power density of 2.14 x 10^-4 W/cm² and were utilized for the Chem-E-Car competition. The second portion of the thesis investigates …

Performance Of Zirconia-Based Catalysts For Cold Plasma-Assisted Dry Methane Reforming, Levi Pile

Chemical Engineering Undergraduate Honors Theses

This study investigates the performance of zirconia-based catalysts in non-thermal plasma (NTP)–assisted dry methane reforming (DMR) for synthesis gas (syngas) production. This work explores an alternative pathway for converting carbon dioxide and methane into valuable products under milder conditions than conventional thermal processes. Experiments were conducted in a radiofrequency plasma reactor to evaluate the effects of plasma power, feed flow rate, and reactant ratios on conversion efficiency. The performance of plasma-only conditions was compared with packed-bed systems using zirconia catalysts. Results show that plasma-only systems achieved modest conversion rates (~16.5% for CH₄ and ~12.0% for CO₂), while …

Demonstration Of The Relationship Between Irwin Spire Quantity And Boundary Layer Depth In The Chemical Hazards Research Center Wind Tunnel, Jace D. Beckwith

Chemical Engineering Undergraduate Honors Theses

Atmospheric Dispersion Models (ADMs) are computer-based simulations used to model gas releases for enforcing regulatory compliance, designing facilities, and responding to emergencies. Because ADMs rely on complex mathematical models, they require experimental validation to ensure accuracy. Wind tunnels offer a controlled, repeatable method for gathering validation data. The Chemical Hazards Research Center (CHRC) at the University of Arkansas operates an ultra-low speed wind tunnel for this purpose. A key feature of this tunnel is its simulated Atmospheric Boundary Layer (ABL). The simulated ABL is a turbulent layer in which wind speed increases logarithmically with height from near zero at the …

Optimization Of Renewable Energy-Based Alkaline Electrolysis Systems For Sustainable Hydrogen Production, Shokhrukhbek Kozimjon Ugli Bakhramov

Chemical Technology, Control and Management

This paper presents a comprehensive optimization study of hydrogen production systems through alkaline water electrolysis powered by photovoltaic energy sources, with a specific focus on Central Asian applications. The research systematically investigates critical operating parameters including KOH electrolyte concentration (25-30 wt%), temperature effects (25-80°C), current density optimization (100-500 mA/cm²), and electrode material performance using cost-effective 316L stainless steel. Experimental results demonstrate that optimized systems achieve solar-to-hydrogen efficiency of 13-15%, with hydrogen production costs ranging from $2-8/kg depending on system scale. The study reveals that maximum performance occurs at 30 wt% KOH concentration, 60-80°C operating temperature, and 200-400 mA/cm² current density. …

A Comparative Study Of Tin Electrorefining In Molten Licl–Kcl–Cacl₂: Experimental Two-Electrode Current Control And Theoretical Three-Electrode Potential Control, Bryant Johnson, George Ankrah, Ander Fuller, Devin Rappleye

Reviews, Analyses, and Instructional Studies in Electrochemistry (RAISE)

Molten salt electrorefining is a mature technology for metal recovery, yet conventional current‑controlled, two‑electrode operation provides limited electrochemical selectivity and restricted insight into electrode‑specific behavior. In this work, a simplified model is developed to compare current‑controlled two‑electrode electrorefining data with a potential‑controlled three‑electrode electrorefining simulation using tin in molten LiCl–KCl–CaCl₂ as a surrogate for plutonium processing. The model examines anodic and cathodic limitations under fixed‑potential operation and evaluates implications for selectivity, efficiency, and runtime relative to experimentally demonstrated two‑electrode performance. Results indicate that independent potential control enables operation closer to thermodynamic selectivity limits, with the potential to suppress impurity oxidation …

Modified Anodic Stripping Voltammetry For In Situ Analysis Of Liquid Metal Composition In Molten Salt Electrorefining Systems, James H. Manner

Reviews, Analyses, and Instructional Studies in Electrochemistry (RAISE)

The development of in-situ analytical techniques for high-temperature molten salt systems is critical for advancing electrorefining in nuclear fuel recycling and metallurgical purification. This study proposes Modified Anodic Stripping Voltammetry (MASV), using a “dip-and-strip” approach where a tungsten electrode captures molten Sn–Ni alloy before stripping in LiCl–KCl–CaCl₂ at 415 °C. OCP results showed rapid loss of the metal layer due to poor wetting, and stripping peaks gave compositions inconsistent with the alloy, likely reflecting Sn/Sn²⁺ and Sn²⁺/Sn⁴⁺ redox processes. These results highlight interfacial limitations and the need for improved electrode materials and surface modification.