Catalysis and Reaction Engineering Commons^™

Voltage-Related Power Quality Issues And Impacts On Distribution Networks With Sensitive Loads - A Review, Godwin Elinazi Mnkeni, Jackson Justo, Aviti Thadei Mushi, Bakari M. M. Mwinyiwiwa

Tanzania Journal of Engineering and Technology (TJET)

Voltage disturbances are the most important power quality (PQ) complications that customers and power utilities face in this smart era. The growing adoption of sophisticated electronic equipment and integration of renewable energy sources (RES) into power grids has increased the susceptibility of power distribution networks (PDNs) to voltage sags, swells, interruptions, flicker, and voltage imbalance. These disturbances, mainly caused by upstream faults, switching operations, and RES integration, compromise voltage PQ and system reliability. Consequently, they accelerate equipment degradation, increase electronic waste (e-waste), raise reactive power demand and maintenance costs, increase power losses, and impose substantial economic losses on customers and …

Catalytic Effect Of Metal Ions On The Oxidation Of Thiocyanate Ions With Hydrogen Peroxide, Sarvar B. Rajabov, Salmon M. Mukhammadiev, Berdakh T. Daniyarov, Haci Deveci, Shahlo Sh. Daminova

CHEMISTRY AND CHEMICAL ENGINEERING

Thiocyanate (SCN⁻) ions, formed during the cyanidation of gold ores, pose a significant environmental problem when present in mine processing wastewater. In this study, the oxidation of potassium thiocyanate model solutions (10–1000 mg/L) with hydrogen peroxide, in the presence and absence of Cu²⁺ and Fe²⁺ ions, was investigated at room temperature. Residual SCN⁻ concentrations were determined by bromatometric titration and UV-spectroscopy. Without a catalyst, H₂O₂ showed the weakest effect at all concentrations, leaving 6–17% residual SCN⁻ even at the highest applied dose. The addition of Cu²⁺ and Fe²⁺ ions markedly accelerated oxidation via …

Efficient Acidic H2O2 Electrosynthesis Over Co Atoms Anchored On Nitrogen-Doped Hierarchical Porous Carbon, Xiao Huang, Zi-Hao Zhan, Hao-Xu Niu, Guan-Yu Luo, Jin-Tao Huang, Bo-Xuan Jin, De-Li Wang

Journal of Electrochemistry

The two-electron oxygen reduction reaction (2e⁻ ORR) presents a promising route for the on-site production of hydrogen peroxide (H₂O₂), offering a green alternative to energy-consuming anthraquinone process. However, the high selectivity toward the competing 4e⁻ ORR over the desired 2e⁻ pathway leads to low Faradaic efficiency for H₂O₂, posing a critical challenge in catalyst design. In this work, a nitrogen-doped hollow hierarchical porous carbon with anchored Co atoms (CoN/HPC) was constructed for high-performance H₂O₂ production. The as-prepared Co-N/HPC catalyst showed excellent 2e⁻ ORR performance, achieving …

Engineering Small-Sized Cations With Strong Solvation For High-Voltage Supercapacitors, Tong Huo, Pan Liu, Hao Chen, Peng Zhang, Zhen-Lei Chen, Guo-Fu Sun, Zhi-Qiang Shi, Jing Wang

Journal of Electrochemistry

Supercapacitors (SCs) have attracted much attention in the field of energy storage due to their high power density and long cycle life. However, their relatively low energy density limits their application in a wider range of fields. Methods to increase energy density include enhancing specific capacitance and extending operating voltage window. Herein, we report a novel electrolyte salt, tetramethylammonium bis(fluorosulfonyl)imide (TMA-FSI), the resulting electrolyte formed with propylene carbonate (PC), designated as TMF, exhibited a wide electrochemical stability window (ESW) of 5.09 V. On the one hand, we found that the small size of TMA⁺ enables it to enter the …

Dense Platinum Nanoparticles Confined In Mn-N-C Nanocages For Robust Heavy-Duty Pemfcs, Lei Zhao, Zhen-Min Cao, Jia-Yu Zuo, Ming-Liang Yang, Hong-Yan Qiao, Jun-Song Chen, Rui Wu

Journal of Electrochemistry

High-loading Pt cathodes are essential for heavy-duty proton exchange membrane fuel cells but suffer from a critical tradeoff between ionomer sulfonate poisoning and nanoparticle instability. Herein, we report a spatial confinement strategy to encapsulate dense Pt nanoparticles (~51.8 wt%) within Mn/N-co-doped mesoporous carbon nanocages (denoted as Pt-MnNC). This architecture excludes bulky ionomers to create an ionomer-shielded environment against sulfonate poisoning, while Mn-N_x-mediated strong metal-support interactions anchor the Pt nanoparticles to prevent agglomeration and further boost durability. In the 5 × 5 cm² membrane electrode assembly tests, the Pt-MnNC catalyst delivers an exceptional power density of 1.26 W·cm …

Recent Advances In Bioethanol Production From Water Hyacinth: A Critical Review, Umuamina A. Matola, Mahir Mohammed Said, Olga-Ioanna Kalantzi, Abraham K. Temu

Tanzania Journal of Engineering and Technology (TJET)

Water hyacinth (WH) is a highly invasive tropical aquatic weed with high holocellulose and low lignin content, making it a promising lignocellulosic feedstock for second-generation bioethanol production. Producing bioethanol from WH offers a sustainable approach to simultaneously managing invasive biomass and producing renewable energy. This review critically evaluates recent advancements in bioethanol production from WH by examining pretreatment, hydrolysis, and fermentation technologies reported between 2014 and 2024. A PRISMA-guided literature search was conducted using the Scopus and Web of Science databases, and fifty-nine original research articles were selected for analysis. The reviewed studies were comparatively assessed based on pretreatment strategies, …

Modeling Of A Two-Stage Extractive Distillation Process For The Separation Of 1,3-Butadiene From Pyrolysis-Derived C₄ Fractions, Muxriddin Xudoyor Og‘Li Ibodullayev, Jonibek Farxod O‘G‘Li Norqulov, Olim Rustamovich Abduraxmonov, Orifjon Sharipovich Kodirov

Chemical Technology, Control and Management

The separation of 1,3-butadiene from pyrolysis-derived C₄ fractions represents a challenging task due to the multicomponent nature of the feed and the close boiling points of accompanying hydrocarbons. In this study, a two-stage extractive distillation process was investigated using an acetonitrile–water solvent system to address these challenges. A semi-industrial experimental unit consisting of two extractive distillation columns connected in series was developed and analyzed, and the process configuration was supported by Aspen Plus simulation. The feedstock composition was characterized in detail, revealing that 1,3-butadiene constitutes approximately 40 wt.% of the C₄ fraction, accompanied by significant amounts of propylene, butanes, butanes, …

In Situ Electrochemical Characterization Techniques For Active Hydrogen In Electrocatalytic Nitrate Reduction To Ammonia, Hong-Mei Li, Mei Yi, Zhao-Yu Jin, Ming-Hao Xie, Khalid M. Omer, Yong Guo, Pan-Pan Li

Journal of Electrochemistry

Electrocatalytic nitrate reduction to ammonia (NitRR) represents a sustainable pathway that integrates environmental remediation with the production of high-value ammonia. However, the activity and selectivity of this process are limited by the generation, consumption, and dynamic equilibrium of the key transient intermediate—active hydrogen (*H). Precise modulation of *H necessitates a comprehensive understanding of its behavior, which relies fundamentally on advanced in situ electrochemical characterization techniques. However, a systematic review dedicated to the rational selection and application of in situ electrochemical techniques for the specific characterization of *H in NitRR, with clear definitions of each technique's "detectable targets, quantitative accuracy, and …

Neural Network Driven By Electrochemical Performance Data For Predicting The Discharge Termination Time Of Seawater Electrolyte-Based Metal-Air Batteries, Peng-Peng Shen, Yi-Chi Pan, Yu-Rong Liu, Lu-Dan Zhang, Ning Niu, Guan-Jun Wang, De-Kun Yang, Xin-Long Tian, Peng Rao

Journal of Electrochemistry

Seawater electrolyte-based metal-air batteries exhibit great promise for marine energy supply systems. However, conventional statistical analysis methods, though applicable to seawater metal-air battery lifetime prediction, have inherent limitations of insufficient prediction accuracy and large error. Herein, a deep time-series regression framework based on InceptionTime and incorporating prior-biased attention pooling is proposed to construct a nonlinear mapping between electrochemical performance sequences and the discharge termination time of catalysts. Specifically, chronoamperometric profiles are employed to extract long-term stability features, while prior knowledge derived from linear sweep voltammetry is introduced to strengthen the attention weighting over critical potential regions. Under a nested leave-one-catalyst-out …

Microwave-Assisted Synthesis Of Core-Shell Structured Pd@Pdptcufe Recessed Truncated Octahedral Nanocrystals For Multifunctional Electrocatalysis, De-Zhong Hu, Wen-Dan Jiang, Wei Keat Ng, Jun Yang, Xiong-Wu Kang

Journal of Electrochemistry

Developing cost-efficient and durable multifunctional electrocatalysts of hydrogen evolution reaction, oxygen reduction reaction and oxygen evolution reaction is crucial for improving energy conversion efficiency in electrolytic water splitting electrolyzer and advancing rechargeable zinc-air batteries. Polyhedral shaped nanocrystals with well-defined crystal facets represent a type of model catalysts that enables the exploration of structure-activity relationships. However, it is still very challenging to prepare alloy nanocrystals with multiple metal components due to their complicated redox potentials and mixing enthalpy. Herein, we report a rapid microwave-assisted polyol reduction method for syntheses of core-shell Pd@PdPtCu, Pd@PdPtCuNi, Pd@PdPtCuCo and Pd@PdPtCuZn octahedral nanocrystals, and recessed truncated-octahedral …

Dynamic Reconstruction Engineering Of Anti-Corrosion Ni-Based Anodes For Alkaline Seawater Electrolysis, Yi-Gang Zhang, Wen-Wen Xu, Tian-Yu Zhang, Zhi-Yi Lu

Journal of Electrochemistry

Green hydrogen production via alkaline seawater electrolysis offers an environmentally sustainable and potentially cost-effective route to address both energy and climate challenges. Achieving long-term anode stability under complex ionic environments and industrial current densities remains a central bottleneck. Specifically, Ni-based anodes exhibit intense surface reconstruction during the oxygen evolution reaction, necessitating dynamic anti-corrosion strategies. This mini review systematically summarizes reconstruction engineering approaches to develop anti-corrosion Ni-based anodes of alkaline seawater electrolysis across increasingly complex ionic environments from simulated seawater to real seawater: (i) Cl^– dominated; (ii) Cl^– with co-existing oxyanions, and (iii) Cl^–  with co-existing Br^{– …}

Preparation And Performance Study Of In-Situ Self-Assembled Biphasic Smmn2O5-Nimn2O4 Composite Cathode, Neng-Chu Xia, Yu Zhou, Qin Wang, Jia-You Zhang, Chun Yu, Yang Zhang, Wan-Bing Guan, Jian-Xin Wang

Journal of Electrochemistry

Mullite-structured oxides exhibit excellent oxygen reduction reaction activity, possess a low thermal expansion coefficient due to their unique crystal structure, and can eliminate the need for a barrier layer and simplify the preparation process as they contain no alkaline earth elements. Thus, they hold great promise as novel cathode materials for solid oxide fuel cells. In this work, a mullite-spinel-structured SmMn₂O₅-NiMn₂O₄ (SMO-NMO) composite cathode was one-step synthesized via a solid-liquid composite route, and its in-situ self-assembly enabled good compatibility with the electrolyte without any barrier layer. Characterization results showed that the SMO:NMO = …

In-Situ Stm Visualization Of Molecular Structural Evolution During Electrochemical Oxidation Coupling Of Para-Aminothiophenol On Au(111), Zi-Wei Ma, Tai-Rui Wu, An-Ni Zheng, Lai-Ke Chen, Yuan-Hui Xiao, Zhao-Bin Chen, Qing-Na Zheng, Jian-Zhang Zhou, Jia-Wei Yan, De-Yin Wu

Journal of Electrochemistry

Para-aminothiophenol (PATP) is not only a widely-used probe molecule in the field of surface-enhanced Raman spectroscopy (SERS), but also an important model molecule for interfacial reactions, exhibiting distinct photo- and electro-oxidation pathways, so that PATP is selectively activated under different external fields. The evolution of products and intermediates during electrochemical oxidative coupling remains unknown. In this study, we have investigated the dynamic electrochemical oxidation process of PATP on the Au(111) surface using cyclic voltammetry, electrochemical (EC)-SERS, and in situ electrochemical scanning tunneling microscopy (EC-STM). The results showed that PATP forms an unsaturated adsorption coverage on Au(111) in an acidic solution. …

Effect Of Concentration And Temperature Of Tio2-Al2o3 Hybrid Nanofluid On The Corrosion Rate Of Aluminum Radiator, Ratna Monasari, Rizky Maulana Ramadhan, Nike Nur Farida, Ahmad Hanif Firdaus, Supa Kusuma Aji, Yuniarto Agus Winoko, Rizkyansyah Alif Hidayatullah

Journal of Mechanical Engineering Science and Technology (JMEST)

Corrosion of aluminum radiators can reduce cooling system reliability and shorten service life in automotive applications. This study examines the effect of TiO₂-Al₂O₃ hybrid nanofluid concentration and temperature on the corrosion rate of commercially available aluminum radiator material. Hybrid nanoparticles with a TiO₂-Al₂O₃ mass ratio of 50:50 were dispersed in distilled water at concentrations of 0.6 wt.%, 0.8 wt.%, and 1.0 wt.%. Corrosion behavior was evaluated using a 14-day accelerated immersion test at 60°C and 80°C, and the corrosion rate was determined using the gravimetric mass loss method. The results …

Li+/Na+ Hybrid Ion Conduction Mechanism In The Superionic Conductor Li3–XNaXZr2Si2Po12, Yi-Hong Wu, Xia Xie, Lei Zhu, Mu-Ran Yu, Guo-Tai Zhang, Jun-Chao Chen, Shu-Ying Sun, You-Wei Wang, Wei-Ping Tang

Journal of Electrochemistry

Hybrid ion conductors that transport multiple ionic conductive species provide a useful platform for understanding how mixed-ion transport governs ionic conductivity within a single phase. However, the controlled introduction of multiple mobile ions into solid-state electrolytes and a mechanistic understanding of their migration within the framework remain challenging. Herein, a skeleton-retained Li⁺↔Na⁺ cationic exchange was used to simultaneously induce Li⁺ and Na⁺ cations into the NASICON-type framework of Li_3–xNa_xZr₂Si₂PO₁₂ (0 < x < 3). We show that the interpenetration of NaO₆ and NaO₈ coordination polyhedra significantly influences the ionic conductivity of hybrid ion conductors. Computational …

Distribution And Transport Of Lithium Ions At Interfaces Between Graphite And Carboxymethyl Celluloses, Zi-Jun Huang, Zhen-Ying Zheng, Hua-Wei Cao, Jian Wang, Qing-Feng Zhang, Sheng-Li Chen

Journal of Electrochemistry

Carboxymethyl cellulose (CMC) is a water-processable binder widely used for graphite anodes. However, a microscopic understanding of why the identity of CMC counterions (Li⁺/Na⁺/K⁺) strongly affects electrode performance remains limited. Here, molecular dynamics (MD) simulations are used to track Li⁺ transport accessibility across electrolyte/CMC/graphite three-phase interfaces, comparing pure CMC-Li, CMC-Na, CMC-K, and mixed-counterion CMC binders. We find that CMC-Li sustains a continuous Li⁺ transport pathway from the electrolyte through the binder phase toward graphite. In contrast, in CMC-Na and CMC-K, Na⁺/K⁺ ions preferentially enrich at the graphite/binder interface, forming …

Distinct Co2 Electroreduction Behaviors Over Planar And Non-Planar Cobalt Molecular Catalysts, Ru Jia, Cheng-Biao Zhu, Zi-Mo Zhang, Tuo Wang, Kai-Cong Yang, Guang-Zhe Wang, Yang Hu, Ting-Ting Zhang, Zhen-Wei Wei, Li Xiao, Gong-Wei Wang, Lin Zhuang

Journal of Electrochemistry

Molecular catalysts serve as ideal platforms for studying electrocatalytic reaction mechanisms. While current research mainly focuses on modulating central metals or surrounding ligands, the influence of molecular spatial configuration remains largely unexplored. Herein, we synthesized two cobalt complexes with similar ligand environments but distinct spatial geometries, a planar cobalt hexaazamacrocyclic complex (CoHAM) and a non-planar acyclic Co(phen)₂Cl₂, and evaluated their performance in CO₂ reduction reaction (CO₂RR). The planar CoHAM exhibited dramatically superior CO₂RR performance compared to the non-planar Co(phen)₂Cl₂. Through a series of combined analyses using in-situ …

Physicochemical Properties And Chemical Compositions Of Cashew Nut Shell Liquid Extracted With Carbon Dioxide–Expanded Hexane, Neema Msuya, Joseph Yn Philip, Frank Jacob, Kando K. Janga

Tanzania Journal of Engineering and Technology (TJET)

Cashew nut shell liquid (CNSL) is a mixture of phenolic compounds that can effectively replace commercially available phenols in various applications. This study investigated the physicochemical properties and chemical composition of CNSL extracted using CO₂–expanded hexane (CXH) and compared to the traditional Soxhlet extraction method. Steamed cashew nut shells (sCNS) were used in both cases.  The CXH was carried under varying CO₂-mole fractions (0.468-0.892) and temperatures (20-36 °C) whereas Soxhlet extraction was performed at atmospheric pressure and hexane boiling point. Response Surface Methodology (RSM) with Central Composite Face-Centred Design (CCFD) was employed to evaluate the effect …

Photocatalysts Based On Titanium Dioxide And Zinc Phthalocyanine Composites For Photodegradation Of Methylene Blue, Albert R. Koldarov, Mastura Kh. Aripova, Odilzhon E. Abdurakhmonov, Zuhra Ch. Kadirova, Abror O. Tashpulatov

CHEMISTRY AND CHEMICAL ENGINEERING

The aim of this work is to analyze the photocatalytic degradation of a model methylene blue solution using titanium dioxide composites with zinc phthalocyanine as the sensitizing photocatalyst under sunlight. The objects of the study are TiO₂-based photocatalysts derived from the spent catalyst of the Shurtan GCC after heat treatment at 650°C (T-650), as well as a composite containing zinc phthalocyanine (T-650/PcZn). It has been established that the photodegradation reaction follows a pseudo-first-order model, while the rate constant for the TiO₂/PcZn composite is significantly higher than that of pure TiO₂, indicating greater efficiency. The …

Modulating Electronic Structure With Linearly Fused Pyrazine Units For High-Voltage And Stable Zinc-Organic Batteries Cathode, Min-Jian Zhao, Li-Bin Zhang, Jin-Tao Wang, Kun Ding, Hai-Mei Liu, Yong-Gang Wang

Journal of Electrochemistry

High-voltage n-type organic cathode materials are critical for constructing zinc-organic batteries (ZOBs) with high energy density and long cycle life. However, the intrinsically unfavorable electronic structures and relatively high LUMO energy levels of most n-type materials often lead to sluggish kinetics, high solubility, and suboptimal discharge voltages (< 0.8 V). Here, we design a small molecule, quinoxalino[2’,3’:5,6]pyrazino[2,3-f][1,10]phenanthroline (DPQP), as a ZOB cathode by introducing locally electron-deficient motifs into the conjugated backbone of aromatic compounds. The linearly fused pyrazine units extending the pyrazine–benzene framework effectively optimize the electronic structure, thereby significantly enhancing the discharge voltage. Meanwhile, the expanded π-conjugated plane suppresses dissolution and accelerates charge-transfer kinetics. Benefiting from these features, the DPQP electrode exhibits an exceptional increase in average operating voltage from 0.61 V to 1.07 V (vs. Zn²⁺/Zn) at 0.1 A·g^–1, with an overpotential of only 140 mV. Notably, no discernible voltage decay occurs as the current density increases, indicating rapid and highly reversible redox kinetics. Furthermore, the DPQP cathode delivers outstanding cycling stability, maintaining over 2000 h of continuous operation at 0.1 A·g^{–1 …}

(Co,Ni,Mn,Cu,Zn)O High-Entropy Oxide Nanotubes As Efficient Bifunctional Electrocatalyst For Oxygen Evolution And Hydrazine Oxidation Reactions, Pan-Yan Chen, Wan-Wan Wu, Heng Bian, Wei-Wei Li, Xin-Sheng Zhao, Lu Wei

Journal of Electrochemistry

High-entropy oxides (HEOs) present significant scientific challenges in both design and synthesis due to their multielement and high-entropy nature, which involves complex combinations of multiple metal cations and oxygen anions, typically arranged in equimolar ratios to achieve structural stability. Herein, one-dimensional (Co,Ni,Mn,Cu,Zn)O high-entropy oxide nanotubes (HEO-NTs) are fabricated by means of a gradient electrospinning strategy with a tailored polyvinyl alcohol (PVA) molecular weight distribution and controlled pyrolysis. Benefiting from the HEO features and the synergistic effect of multicomponent sites, the as-synthesized (Co,Ni,Mn,Cu,Zn)O HEO-NTs exhibit exceptional bifunctional electrocatalytic activity for the oxygen evolution and hydrazine oxidation reactions (OER/HzOR). This study offers …

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. …

Molecular Catalysts For Electrochemical Nitrogen Activation Toward Sustainable Ammonia Synthesis, Jin-Xiu Han, Hao Xue, Xian-Biao Fu

Journal of Electrochemistry

Homogeneous electrocatalytic nitrogen reduction reaction (NRR) provides a powerful framework to interrogate molecular nitrogen-fixation pathways under mild conditions. By tuning the metal center, ligand architecture, and reaction medium, these systems enable capturing key intermediates and delivering mechanistic insight at the molecular-level resolution. Nevertheless, advances remain constrained by highly reduced operating potentials, intense competition from the hydrogen evolution reaction (HER), limited durability in turnover, and inadequate long-term stability.

In this review, we take electron delivery to the molecular active site as the guiding principle for organizing homogeneous electrochemical N₂ activation and transformation. We classify reported systems into direct electron transfer …

Water-Driven Solid Electrolyte Interphase Governs Continuous-Flow Ammonia Electrosynthesis, Peng-Bo Liu, Sheng-Liang Zhai, Ji Huang, Zhong-Shuo Zhang, Jie Zeng, Shao-Feng Li

Journal of Electrochemistry

Flow-cell architectures have emerged as a powerful platform for continuous and stable lithium-mediated nitrogen reduction (Li-NRR), enabling ambient-condition electrochemical ammonia synthesis and offering a promising alternative to Haber-Bosch processes. However, Li-NRR is exceptionally sensitive to trace water, and even minor variations in water content can profoundly alter interfacial chemistry. Here, we systematically investigate how initial water concentration affects Li-NRR performance in a continuous-flow cell. Excess water drives the formation of a thick solid electrolyte interphase (SEI) layer, which may impede nitrogen access to metallic lithium and hinder lithium-ion transport. As a result, the ammonia Faradaic efficiency collapses from ~61% to …

Insertion Of Noble Metal Free Cathodic Catalyst Layer With Fe-N-C Catalyst For Boosted Performance Of Pemfc, Shi Zhou, Muhammad Tariq, Asif Nadeem Tabish, Muhammad Salman, Fan-Di Ning, Muhammad Rayyan Tayyab, Ran-Ran Peng, Meng-Geng Hao, Wen-Mu Li, Xiao-Chun Zhou

Journal of Electrochemistry

Economical Fe-N-C catalysts are considered as promising alternatives to platinum group metal catalysts for proton exchange membrane fuel cells (PEMFCs). Despite exhibiting robust activity on rotating disk electrodes, their performance within membrane electrode assemblies often experiences limitations, such as decreased O₂ diffusion, high H₂O₂ formation, low proton conduction, and a lower electron transfer number. In this study, key factors, including proton transport, electron conduction, and gas diffusion within air-breathing PEMFCs, have been investigated by adjusting cathode catalyst layer (CCL) compositions. From the experimental results, the optimal peak power density was obtained when the loading of Fe-N-C …

Understanding The Binding Of Nickel(Ii) Bromide To A Zirconium Metal-Organic Cage For Heterogeneous Catalysis, Luci Green

Caroliniana Undergraduate Research Journal

Heterogeneous catalysts offer inherent advantages in improving the sustainability of industrial chemical processes. Their high ease of separation and recyclability has the potential to reduce the cost, waste, and energy consumption of processes that currently rely on homogeneous catalysts. Metal–organic cages (MOCs) are an attractive material for heterogeneous catalysis due to their discrete and highly tunable structures, which can be functionalized by binding these complexes with catalytically active metals. The specific objective of this study is to provide preliminary insight into the binding of nickel(II) bromide (NiBr₂) to zirconium MOCs, which was done by studying the binding of …

Axial Sulfur-Coordination Engineering Boosting Fe–N–C Catalysts For High-Performance Proton Exchange Membrane Fuel Cells, Lin Lin, Xiu-Xuan Hou, Zhe-Chen Fan, Yi-Xuan Yin, Wei-Yi Zhao, Kai Wei, Yu-Die Zhou, Li-Na Hou, Ying Wang, Hao Wan, Jun-Jie Ge

Journal of Electrochemistry

Fe-N-C catalysts have long suffered from kinetically sluggish oxygen reduction reaction (ORR) due to excessive adsorption strength toward oxygen intermediates and low site utilization. Heteroatom doping effectively accelerates ORR reaction kinetics through electronic structure modulation of metal sites for optimal intermediate adsorption, while chemical vapor deposition (CVD) enhances the turnover frequency (TOF) of active sites. Herein, we developed an FeSNC catalyst featuring abundant FeS₁N₄ sites via a dual-precursor CVD strategy. Experimental and theoretical analyses revealed that S incorporation disrupts the symmetric coordination of active sites, which optimizes OH* adsorption energies from 0.212 eV to 1.194 eV. Moreover, …

Entropy Of Metal/Solution Interfaces: Thermodynamic Framework, Theoretical Models, And Roles Of Interfacial Water, Zeng-Ming Zhang, Zi-Xi Liang, Jun Huang

Journal of Electrochemistry

Entropy is a basic thermodynamic property of the electrical double layer (EDL) at metal/solution interfaces, yet, its definition, measurement, and theoretical treatment are dispersed in the literature, and, in some cases, ambiguous. In this paper, we revisit the thermodynamic theory of EDL, from which two variants of entropy, excess entropy and formation entropy, are obtained and compared. In terms of the formation entropy, two calculation routes are validated in the context of a primitive EDL model, namely, the Gouy-Chapman (GC) model. After clarifying the concepts and calculation routes, we investigate interfacial water effects on the EDL entropy, using a refined …

Kinetic Investigation Of The Sn2 Reaction Between Piperidine And Chloroacetic Acid Using Atr-Ftir Spectroscopy, Sadoqat O. Mamatkulova, Oytura S. Maksumova

CHEMISTRY AND CHEMICAL ENGINEERING

In this study, the kinetic characteristics of the nucleophilic substitution (SN2) reaction between piperidine and chloroacetic acid were investigated in real time at 50, 60, and 70 °C using ATR-FTIR spectroscopy. The spectral analysis revealed a gradual decrease in the C–Cl stretching vibration in the 710–730 cm⁻¹ region and a simultaneous increase in absorption bands corresponding to the C–N bond in the 1020–1250 cm⁻¹ region, confirming the consistent progression of the reaction. Analysis of the conversion function X(t) showed values of X = 0.669 at 50 °C, X = 0.826 at 60 °C, and X = 0.970 at 70 °C, …

Development Of A Catalytic System Based On N,N’,N”-Tris-(Β-Oxyethyl)Hexahydro-S-Triazine For Polyisocyanuraturethane Foam, Murod K. Karimov, Nozima M. Alimukhamedova, Lochinbek M. Khurramov, Ravshan I. Adilov, Murafar G. Alimukhamedov

CHEMISTRY AND CHEMICAL ENGINEERING

The aim of this work is to develop a catalytic system for the production of polyisocyanurateurethane foams based on N,N',N"-tris(β-hydroxyethyl)hexahydro-S-triazine (TOEGT). N,N',N"-tris(β-hydroxyethyl)hexahydro-S-triazine (TOEGT) exhibits high catalytic activity in polyurethane foam production processes. However, it exhibited moderate catalytic activity in polyisocyanurateurethane  foams, the formation of which is characterized by the sequential-parallel reactions of urethane formation, isocyanate trimerization, and foaming (isocyanate + water). By varying the composition of the catalytic mixture, the required concentrations of each component were determined, which made it possible to synthesize polyisocyanurateurethane foams that meet the requirements of casting polyurethane foams. The optimal ratio of N,N',N"-tris(β-hydroxyethyl)hexahydro-S-triazine: triethylenediamine: tin …