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Journal articles on the topic 'Catalyst optimization'

Author: Grafiati

Published: 5 June 2025

Last updated: 2 August 2025

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1

Xu, Jun Qiang, Fang Guo, Shu Shu Zou, and Xue Jun Quan. "Optimization of the Catalytic Wet Peroxide Oxidation of Phenol over the Fe/NH₄Y Catalyst." Materials Science Forum 694 (July 2011): 640–44. http://dx.doi.org/10.4028/www.scientific.net/msf.694.640.

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The heterogeneous NH4Y zeolite-supported iron catalysts were prepared by incipient wetness impregnation. The catalysis oxidation degradation of phenol was carried over the heterogeneous catalyst in the peroxide catalytic oxidation process. Compared with the homogeneous Fenton process, the Fe/ NH4Y-acid catalyst can effectively degrade contaminants with high catalytic activity and easy catalyst separation from the solution. The phenol removal efficiency could reach 96% in the optimum experimental conditions. These process conditions were as follows: iron content is 5%, reaction time was 60 min,

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Stratton, Rebecca L., Bishal Pokhrel, Bryce Smith, Adeola Adeyemi, Ananta Dhakal, and Hao Shen. "DNA Catalysis: Design, Function, and Optimization." Molecules 29, no. 21 (2024): 5011. http://dx.doi.org/10.3390/molecules29215011.

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Catalytic DNA has gained significant attention in recent decades as a highly efficient and tunable catalyst, thanks to its flexible structures, exceptional specificity, and ease of optimization. Despite being composed of just four monomers, DNA’s complex conformational intricacies enable a wide range of nuanced functions, including scaffolding, electrocatalysis, enantioselectivity, and mechano-electro spin coupling. DNA catalysts, ranging from traditional DNAzymes to innovative DNAzyme hybrids, highlight the remarkable potential of DNA in catalysis. Recent advancements in spectroscopic techniq

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3

Wang, Ziyun, and P. Hu. "Towards rational catalyst design: a general optimization framework." Philosophical Transactions of the Royal Society A: Mathematical, Physical and Engineering Sciences 374, no. 2061 (2016): 20150078. http://dx.doi.org/10.1098/rsta.2015.0078.

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Rational catalyst design is one of the most fundamental goals in heterogeneous catalysis. Herein, we briefly review our previous design work, and then introduce a general optimization framework, which converts catalyst design into an optimization problem. Furthermore, an example is given using the gradient ascent method to show how this framework can be used for rational catalyst design. This framework may be applied to other design schemes.

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Reuillard, Bertrand, Matías Blanco, Laura Calvillo, et al. "Noncovalent Integration of a Bioinspired Ni Catalyst to Graphene Acid for Reversible Electrocatalytic Hydrogen Oxidation." ACS Appl. Mater. Interfaces 12, no. 5 (2020): 5805–11. https://doi.org/10.1021/acsami.9b18922.

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Efficient heterogeneous catalysis of hydrogen oxidation reaction (HOR) by platinum group metal (PGM)-free catalysts in proton-exchange membrane (PEM) fuel cells represents a significant challenge toward the development of a sustainable hydrogen economy. Here, we show that graphene acid (GA) can be used as an electrode scaffold for the noncovalent immobilization of a bioinspired nickel bis-diphosphine HOR catalyst. The highly functionalized structure of this material and optimization of the electrode-catalyst assembly sets new benchmark electrocatalytic performances for heterogeneous molecular

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Santos, A. Sofia G. G., João Restivo, Carla A. Orge, M. Fernando R. Pereira, and O. Salomé G. P. Soares. "Nitrate Catalytic Reduction over Bimetallic Catalysts: Catalyst Optimization." C 6, no. 4 (2020): 78. http://dx.doi.org/10.3390/c6040078.

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The catalytic removal of nitrate (NO3−) in water using hydrogen as a reducing agent was studied using palladium-copper bimetallic catalysts in different supports. Commercial carbon nanotubes (CNTs), used as received and with different mechanical (CNT (BM 2h)) and chemical modifications (CNT (BM 4h)-N), titanium dioxide (TiO2) and composite materials (TiO2-CNT) were considered as main supports for the metallic phase. Different metal loadings were studied to synthesize an optimized catalyst with high NO3− conversion rate and considerable selectivity for N2 formation. Among all the studied suppor

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Sakharov, Maxim, Kamila Koledina, and Irek Gubaydullin. "Optimal Control of Hydrocarbons’ Hydrogenation with Catalysts." Mathematics 12, no. 22 (2024): 3570. http://dx.doi.org/10.3390/math12223570.

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In this paper, the optimal control problem of hydrocarbons’ hydrogenation was investigated in the presence of two catalysts—Nickel–Kieselguhr and Raney Nickel. This multistage chemical reaction holds significant practical importance, particularly in the production of high-density fuels. The optimal control problem was reformulated as a nonlinear global optimization problem and addressed using a modified Mind Evolutionary Computation algorithm. The proposed modifications include methods designed to ensure solution feasibility and ease of practical implementation. Using the proposed method, the

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Encinar, José María, Juan Félix González, Gloria Martínez, and Sergio Nogales-Delgado. "Use of NaNO3/SiAl as Heterogeneous Catalyst for Fatty Acid Methyl Ester Production from Rapeseed Oil." Catalysts 11, no. 11 (2021): 1405. http://dx.doi.org/10.3390/catal11111405.

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The use of heterogeneous catalysts to produce fatty acid methyl esters (FAME) through transesterification with methanol might contribute to both green chemistry and a circular economy, as the process can be simplified, not requiring additional stages to recover the catalyst once the reaction takes place. For this purpose, different catalysts are used, including a wide range of possibilities. In this research the use of NaNO3/SiAl as a heterogeneous catalyst for FAME production through transesterification of rapeseed oil with methanol is considered. A thorough characterization of the catalyst (

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Rinehart, N. Ian, Andrew F. Zahrt, and Scott E. Denmark. "Leveraging Machine Learning for Enantioselective Catalysis: From Dream to Reality." CHIMIA International Journal for Chemistry 75, no. 7 (2021): 592–97. http://dx.doi.org/10.2533/chimia.2021.592.

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Catalyst optimization for enantioselective transformations has traditionally relied on empirical evaluation of catalyst properties. Although this approach has been successful in the past it is intrinsically limited and inefficient. To address this problem, our laboratory has developed a fully informatics guided workflow to leverage the power of artificial intelligence (AI) and machine learning (ML) to accelerate the discovery and optimization of any class of catalyst for any transformation. This approach is mechanistically agnostic, but also serves as a discovery platform to identify high perf

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Mustapha, Aliru Olajide, Kamarudeen Akanji, Adebola Akala, et al. "Castor (Ricinus communis) and Sesame (Sesamum indicum) Biodiesel Optimization by Alkaline Na+/K+ Catalytic Conversion." Al-Qadisiyah Journal Of Pure Science 27, no. 1 (2022): 1–16. http://dx.doi.org/10.29350/qjps.2022.27.1.1471.

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For the optimization of refined castor biodiesel (RCB) and refined sesame biodiesel (RSB), the impacts of specified conditions such as catalysts (NaOH and KOH), catalyst concentration (0.3–1.5), speed (500–750 rpm), and time (20–60 min) were investigated. The physicochemical properties of the RCB and RSB were measured using the American Standard for Testing Materials (ASTM) approved protocols for acid, peroxide, iodine, and saponification; density, kinematic viscosity, and refractive index values. Box–Behnken Design's Response Surface Methodology (RSM) was used for optimization. The results fo

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Duana, C. M., H. Primadona, Agustria, et al. "Optimization Of Lifetime LTS Catalyst Ammonia Plant PT. Pupuk Iskandar Muda." IOP Conference Series: Earth and Environmental Science 1414, no. 1 (2024): 012043. https://doi.org/10.1088/1755-1315/1414/1/012043.

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Abstract PT Pupuk Iskandar Muda, a company operating in the fertilizer sector, produces waste in its production process, so a waste reduction program is needed. The Low-Temperature Shift Converter (LTS) catalyst used in the fertilizer production process at the Ammonia Factory produces catalyst waste classified as hazardous and toxic. Each LTS catalyst has a lifespan of four years before requiring replacement with a new catalyst. Regular replacement of LTS catalysts leads to a substantial hazardous waste generation of 22.25 tons per year, necessitating special handling to prevent environmental

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Ochiai, Bungo, and Yuriko Kobayashi. "Non-Isocyanate Synthesis of Aliphatic Polyurethane by BiCl3-Catalyzed Transurethanization Polycondensation." Polymers 16, no. 8 (2024): 1136. http://dx.doi.org/10.3390/polym16081136.

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Non-isocyanate polyurethane synthesis by non-Sn catalysis is an essential challenge toward green polyurethane synthesis. Bismuth compounds are attractive candidates due to their low cost, low toxicity, and availability to urethane chemistry. This work applied various Bi catalysts to the self-polycondensation of a bishydroxyurethane monomer and found BiCl3 to be an excellent catalyst through optimization. The catalytic activity and price of BiCl3 are comparable to those of Bu2SnO, while its toxicity is significantly low. BiCl3 is, therefore, a promising alternative to Sn-based catalysts in non-

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Luchmanandri, Rahmadini, Munawar Ali, Restu Hikmah Ayu Murti, and Ade Lila Arale. "Enhancing Ibuprofen Degradation through Optimization of ZrCo Synthesis Catalyst in Membrane Distillation." Jurnal Presipitasi : Media Komunikasi dan Pengembangan Teknik Lingkungan 22, no. 1 (2025): 81–94. https://doi.org/10.14710/presipitasi.v22i1.81-94.

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This study will optimize ZrCo as a catalyst applied to the surface of porous membranes to remove micropollutants, specifically ibuprofen. This method improves the reaction rate and accelerates the chain degradation of Ibuprofen, thereby preventing blockage caused by impurities in the membrane pores. The catalyst synthesis was performed using a hydrothermal method with ZrCl4 and CoCl2·6H2O as the primary materials. This method is employed to produce a high purity catalyst and yield a more stable catalyst. This research will measure the optimal catalyst through flux and removal efficiency during

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Wodrich, Matthew D., Ruben Laplaza, Nicolai Cramer, Markus Reiher, and Clemence Corminboeuf. "Toward in silico Catalyst Optimization." CHIMIA 77, no. 3 (2023): 139. http://dx.doi.org/10.2533/chimia.2023.139.

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In this minireview, we overview a computational pipeline developed within the framework of NCCR Catalysis that can be used to successfully reproduce the enantiomeric ratios of homogeneous catalytic reactions. At the core of this pipeline is the SCINE Molassembler module, a graph-based software that provides algorithms for molecular construction of all periodic table elements. With this pipeline, we are able to simultaneously functionalizenand generate ensembles of transition state conformers, which permits facile exploration of the influencenof various substituents on the overall enantiomeric

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Weng, Yu-Ching, and Chieh-Lin Chiang. "Optimization of Pd–Co–M (M= Cu, Au, Ni) Catalysts for the Oxidation of Formic Acid Using Scanning Electrochemical Microscopy." ECS Meeting Abstracts MA2024-01, no. 36 (2024): 2110. http://dx.doi.org/10.1149/ma2024-01362110mtgabs.

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Formic acid, a versatile substance with applications as both a fuel and hydrogen storage material, emerges as a promising energy source. When utilized as a hydrogen storage material, a single liter of formic acid yields an impressive 590 liters of hydrogen gas under ambient conditions. Furthermore, as a fuel, the Direct Formic Acid Fuel Cell (DFAFC) stands out as a potential energy solution due to its elevated open-circuit voltage, low toxicity, and reduced permeability of high molecular weight membranes. Efficient catalysts play a pivotal role in enhancing the formic acid oxidation reaction,

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Wu, Yufei. "Development and Application of Green Catalysts: Challenges, Optimization, and Future Perspectives." Highlights in Science, Engineering and Technology 116 (November 7, 2024): 308–14. http://dx.doi.org/10.54097/3mn50856.

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This paper comprehensively reviews the development and application of green catalysts in modern chemical industries, with a focus on analyzing the significant advantages of various types of green catalysts, such as metal-organic frameworks (MOFs) and enzyme catalysts, in improving reaction efficiency, reducing energy consumption, and minimizing by-product generation. The paper delves into the design and synthesis of green catalysts, optimization of reaction conditions, and technologies for catalyst recycling and regeneration, highlighting their key roles in enhancing catalyst performance. Desp

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Ren, Jie, Yin Shan Lou, Hai Kuan Yuan, and Lian Shen. "Relationships Between Acidity and Catalytic Performance of Solid Acid in Synthesis of Linear Alkyl Benzene (LAB)." Advanced Materials Research 233-235 (May 2011): 1447–50. http://dx.doi.org/10.4028/www.scientific.net/amr.233-235.1447.

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Through the benzene alkylation experiments with long chain olefin over solid acid catalysts activated at different temperature in the fixed-bed reactor, the kinetics of alkylation reaction and the deactivation kinetics of catalyst were established. The results showed that the activity and stability of catalyst decreased with increasing the activation temperature of catalysts. The reaction rate constant (k) and the deactivation rate constant (kd) of catalyst in kinetic models were also estimated through the optimization method, respectively. The acidity of catalyst was characterized by ammonia

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17

Wierper, Janna, Jannick Hiltrop, Kevinjeorjios Pellumbi, et al. "Going Beyond Platinum: Transferring Cathode Layer Optimization to PGM-Free Catalysts for PEM Water Electrolysis." ECS Meeting Abstracts MA2025-01, no. 38 (2025): 1814. https://doi.org/10.1149/ma2025-01381814mtgabs.

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It is imperative to find alternative catalysts for the platinum group metal (PGM) dependent proton exchange membrane (PEM) water electrolysis that meet industrial performance criteria to ensure sustainability of this promising technology. As such, transition metal chalcogenides have recently gained significant interest as they exhibit high catalytic activity in a broad range of chemical compositions. We herein further optimize the performance and investigate the stability of a pentlandite catalyst (M9S8, M = Fe, Co, Ni) based on previous studies in our group.[1] To demonstrate transferability

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Ess, Daniel H. "Rapid enantioselective catalyst optimization." Nature Catalysis 2, no. 1 (2019): 8–9. http://dx.doi.org/10.1038/s41929-018-0216-0.

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19

Na, Woo-Jin, Ho-Ryong Park, Su-Jin Ryu, Beom-Jun Kim, Hyun-Seog Roh та Hea-Kyung Park. "Influence of Partial Incineration and Optimized Acid Leaching on the Remanufacturing of Ni–Mo/γ–Al2O3 Catalysts". Catalysts 14, № 11 (2024): 768. http://dx.doi.org/10.3390/catal14110768.

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This study investigated the optimization of the remanufacturing process for spent Ni–Mo/γ-Al2O3 catalysts utilized in hydrodesulfurization (HDS) reactions. The proposed process encompasses essential steps, including oil washing, partial incineration, acid leaching, and complete incineration, aimed at restoring the physicochemical properties of the spent catalysts. The incorporation of partial incineration enhanced the removal of hydrocarbons and sulfur compounds, leading to notable recovery of surface area and pore volume. However, vanadium removal was insufficient with partial incineration al

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Shi, Peixiang, Jiahao Han, Yuhao Tian, et al. "Engineering CuZnOAl2O3 Catalyst for Enhancing CO2 Hydrogenation to Methanol." Molecules 30, no. 6 (2025): 1350. https://doi.org/10.3390/molecules30061350.

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The CuZnOAl2O3 catalyst shows excellent activity and selectivity in the reaction of CO2 hydrogenation to methanol as a consequence of its controllable physicochemical properties, which is expected to offer an efficient route to renewable energy. In this study, CuZnOAl2O3 catalysts are engineered by a special pretreatment, constructing a carbonate structure on the surface of the catalyst. Compared to the unmodified catalyst, the optimized catalyst (CZA-H-C1) not only exhibits an improved methanol selectivity of 62.5% (250 °C and 3 MPa) but also retains a minimal degree of deactivation of 9.57%

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Lang, Jack Todd, Serafina Fortiner, Ryan J. Ouimet, et al. "Optimization of Transport Components and Electrode Interfaces for Low Iridium Oxide Loading PEM Electrolysis." ECS Meeting Abstracts MA2024-01, no. 34 (2024): 1815. http://dx.doi.org/10.1149/ma2024-01341815mtgabs.

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Moving towards lower iridium oxide (IrOx) catalyst loadings for the anode side of polymer electrolyte membrane water electrolyzers (PEMWE) requires tuning of the catalyst layer-porous transport layer (PTL) interface. To see widespread deployment, PEMWE anodes need to lower the loadings from 1-2 mg/cm2 IrOx down to 0.1 mg/cm2 [1]. The catalyst layer can become less uniform and more disconnected at these lower loadings, so the addition and optimization of a microporous layer (MPL) onto the PTL to improve interfacial contact and in-plane connectivity is essential to move toward the more sustainab

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Strandgaard, Magnus, Julius Seumer, Bardi Benediktsson, Arghya Bhowmik, Tejs Vegge, and Jan H. Jensen. "Genetic algorithm-based re-optimization of the Schrock catalyst for dinitrogen fixation." PeerJ Physical Chemistry 5 (December 5, 2023): e30. http://dx.doi.org/10.7717/peerj-pchem.30.

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This study leverages a graph-based genetic algorithm (GB-GA) for the design of efficient nitrogen-fixing catalysts as alternatives to the Schrock catalyst, with the aim to improve the energetics of key reaction steps. Despite the abundance of nitrogen in the atmosphere, it remains largely inaccessible due to its inert nature. The Schrock catalyst, a molybdenum-based complex, offered a breakthrough but its practical application is limited due to low turnover numbers and energetic bottlenecks. The genetic algorithm in our study explores the chemical space for viable modifications of the Schrock

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Wang, Zi Xue, Jie Fu, Chao Du, and Yang Zhang. "Optimization of Catholyte in Hydrogen Redox Fuel Cell." Applied Mechanics and Materials 737 (March 2015): 97–104. http://dx.doi.org/10.4028/www.scientific.net/amm.737.97.

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Redox electric couple species used in the catholyte of the hydrogen redox fuel cell was screened through the electrochemical testing methods, and the catholyte composition and concentration were optimized by studying the reaction mechanism and laws on different electrodes, then the inside battery structure was also designed. The results showed that when using the carbon felt as electrode, platinum as catalyst, ferric/ferrous ion solution as the most suitable catholyte optimal performance could be obtained. This method can reduce the cathode polarization and the amount of catalysts. It can also

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Carlier, Samuel, Walid Baaziz, Ovidiu Ersen, and Sophie Hermans. "Synergy between Sulfonic Functions and Ru Nanoparticles Supported on Activated Carbon for the Valorization of Cellulose into Sorbitol." Catalysts 13, no. 6 (2023): 963. http://dx.doi.org/10.3390/catal13060963.

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The production of sorbitol from biomass, and especially from its cellulosic component, has been studied as a sustainable method for producing platform molecules. Because it requires two steps, namely, hydrolysis and hydrogenation, bifunctional materials are required as catalysts for this transformation. This study reports a bifunctional catalyst composed of sulfonic functions grafted onto a carbon support for the hydrolysis step and RuO2 nanoparticles for the hydrogenation step. As sulfur can easily poison Ru, synthetic optimization is necessary to obtain an efficient bifunctional catalyst tha

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Xia, Wei, Chao Ma, Yaxin Huang, et al. "Bioethanol Conversion into Propylene over Various Zeolite Catalysts: Reaction Optimization and Catalyst Deactivation." Nanomaterials 12, no. 16 (2022): 2746. http://dx.doi.org/10.3390/nano12162746.

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Catalytic conversions of bioethanol to propylene were investigated over different zeolite catalysts. H-ZSM-5 (SiO2/Al2O3 = 80) was found to be the most effective for propylene production. Furthermore, H-ZSM-5 (SiO2/Al2O3 = 80) was investigated under different variables of catalytic reaction (calcination temperature, feed composition, reaction temperature, and time on stream) for the conversion of ethanol to propylene. The H-ZSM-5(80) catalysts calcined at 600 °C showed the highest propylene yield. The moderate acidic site on ZSM-5 is required for the production of propylene. The activity on ZS

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Rossini, Matteo, Burak Koyuturk, Amirreza Khataee, Göran Lindbergh, and Ann Cornell. "Oxygen Evolution Platinum Group Metal-Free Catalyst Loading Optimization for Anion Exchange Membrane Water Electrolysis with Low Concentration Electrolyte." ECS Meeting Abstracts MA2024-02, no. 45 (2024): 3184. https://doi.org/10.1149/ma2024-02453184mtgabs.

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Anion exchange membrane water electrolysis (AEMWE) is receiving tremendous attention by many researchers in the field of the electrochemistry as it shows the potential to make the electrolytic hydrogen production more cost-effective. This technological advance has been made possible by the progress in the polymer chemistry of anion exchange membranes (AEMs) [1]. These materials can conduct hydroxide anions without suffering from the chemical degradation induced by the hydroxide itself. Like alkaline water electrolysis (AWE), AEMWE can exploit low cost and abundant materials, for example nickel

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Chen, Zhuo. "Development and Optimization of Efficient Biocatalysts from the Perspective of Green Chemistry." International Journal of Materials Science and Technology Studies 2, no. 2 (2024): 59–64. http://dx.doi.org/10.62051/ijmsts.v2n2.07.

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The purpose of this study is to investigate the innovative design and efficiency improvement strategies of biomass catalysts from the perspective of green chemistry. In view of the increasing global awareness of environmental protection and the keen demand for sustainable development models, green chemistry has become an indispensable evolution direction in the field of chemical engineering. Biomass catalysts, with their excellent efficiency, excellent selectivity, and low impact on the environment, have shown great potential applications in the territory of green chemistry. This paper describ

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Lombardo, Marco, and Claudio Trombini. "Ionic Tags in Catalyst Optimization: Beyond Catalyst Recycling." ChemCatChem 2, no. 2 (2010): 135–45. http://dx.doi.org/10.1002/cctc.200900256.

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Shen, Zhaobing, Yejun Han, Yue Liu, et al. "Understanding Surface Basic Sites of Catalysts: Kinetics and Mechanism of Dehydrochlorination of 1,2-Dichloroethane over N-Doped Carbon Catalysts." Catalysts 10, no. 6 (2020): 707. http://dx.doi.org/10.3390/catal10060707.

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The production of vinyl chloride (VCM) by pyrolysis of 1,2-dichloroethane (DCE) is an important process in the ethylene-based poly(vinyl chloride) industry. The pyrolysis is performed at temperatures above 500 °C, gives low conversions, and has high energy consumption. We have shown that N-doped carbon catalysts give excellent performances in DCE dehydrochlorination at 280 °C. The current understanding of the active sites, mechanism, and kinetics of DCE dehydrochlorination over N-doped carbon catalysts is limited. Here, we showed that pyridinic-N on a N-doped carbon catalyst is the active site

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Winoto, Veronica, and Nuttawan Yoswathana. "Optimization of Biodiesel Production Using Nanomagnetic CaO-Based Catalysts with Subcritical Methanol Transesterification of Rubber Seed Oil." Energies 12, no. 2 (2019): 230. http://dx.doi.org/10.3390/en12020230.

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The molar ratio of methanol to rubber seed oil (RSO), catalyst loading, and the reaction time of RSO biodiesel production were optimized in this work. The response surface methodology, using the Box–Behnken design, was analyzed to determine the optimum fatty acid methyl ester (FAME) yield. The performance of various nanomagnetic CaO-based catalysts—KF/CaO-Fe3O4, KF/CaO-Fe3O4-Li (Li additives), and KF/CaO-Fe3O4-Al (Al additives)—were compared. Rubber seed biodiesel was produced via the transesterification process under subcritical methanol conditions with nanomagnetic catalysts. The experimenta

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Pires, Elisabet, José García, Alejandro Leal-Duaso, José Mayoral, José García-Peiro, and David Velázquez. "Optimization of the Synthesis of Glycerol Derived Monoethers from Glycidol by Means of Heterogeneous Acid Catalysis." Molecules 23, no. 11 (2018): 2887. http://dx.doi.org/10.3390/molecules23112887.

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We present an efficient and green methodology for the synthesis of glycerol monoethers, starting from glycidol and different alcohols, by means of heterogeneous acid catalysis. A scope of Brønsted and Lewis acid catalysts were applied to the benchmark reaction of glycidol and methanol. The selected catalysts were cationic exchangers, such as Nafion NR50, Dowex 50WX2, Amberlyst 15 and K10-Montmorillonite, both in their protonic form and exchanged with Al(III), Zn(II) and Fe(III). Thus, total conversions were reached in short times by using 1 and 5% mol catalyst loading and room temperature, wit

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Neramittagapong, Sutasinee, Arthit Neramittagapong, and Siwaporn Choorueang. "Optimization of COD Removal from an Aqueous Lignin Solution Using Photo-Fenton Reaction over Fe-Ce-Zn Catalysts." Advanced Materials Research 931-932 (May 2014): 7–11. http://dx.doi.org/10.4028/www.scientific.net/amr.931-932.7.

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This work is an investigation of the effectiveness of chemical oxygen demand (COD) removal from synthesized lignin wastewater using photo-Fenton reaction over Fe-Ce-Zn catalysts. The synthesized lignin wastewater had the same COD concentration as the pulp processing wastewater. The treatment was done using photo-Fenton reaction with the metal catalysts (Fe-Ce-Zn). They were prepared by co-precipitation. The catalysts efficacies in reducing COD were tested. It was found that the addition of zinc influenced its reaction due to the increasing of semiconductor property to the light. Moreover, the

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Suo, Chun Guang, Wen Bin Zhang, Hua Wang, and Guang Min Wu. "Optimization of Membrane Electrode Assemblies Anode of a Micro Direct Methanol Fuel Cell by Mathematical Modeling." Advanced Materials Research 652-654 (January 2013): 819–22. http://dx.doi.org/10.4028/www.scientific.net/amr.652-654.819.

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A direct methanol fuel cell (DMFC) with a novel double-layer structured membrane electrode assembly (MEA) was developed and a better performance was obtained. The double catalytic layer anode is composed of a hydrophilic inner catalyst layer with PtRu black and an outer catalyst layer with PtRu/C. In the double-layer structured anode, there existed a catalyst concentration gradient and porosity gradient, resulting in good mass transfer, proton and electron conducting. Furthermore, the delamination of the catalyst layer from the membrane was also resolved because of the inner hydrophilic cataly

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Tanirbergenova Sandugash Kudaibergenovna, Тugelbayeva Dildara Abdikadyrovna, Erezhep Nurzay, Zhylybayeva Nurzhamal Kydyrkhankyzy, and Dinistanova Balaussa Kanatbayevna. "OPTIMIZATION OF TECHNOLOGICAL PARAMETERS OF HYDRAGENERATION PROCESS OF ACETYLENE USING A PILOT CATALYTIC PLANT." SERIES CHEMISTRY AND TECHNOLOGY 5, no. 443 (2020): 134–40. http://dx.doi.org/10.32014/2020.2518-1491.90.

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A pilot plant was launched and the modes of acetylene hydrogenation on cobalt catalysts were worked out. It has been found that the modified 7% Co/ SiAl cobalt catalyst is active in the process of hydrogenating acetylene into ethylene. Optimal conditions of acetylene hydrogenation on 7% Co/ SiAl catalyst were determined. The effects of temperature, space velocity and the ratio of initial components in the hydrogenation of acetylene to ethylene were investigated. The textural characteristics of cobalt catalysts before and after the hydrogenation of acetylene were investigated by the SEM method.

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Lu, Ping, Kebing Wang, and Juhui Gong. "Optimization of Salix Carbonation Solid Acid Catalysts for One-Step Synthesis by Response Surface Method." Applied Sciences 9, no. 8 (2019): 1518. http://dx.doi.org/10.3390/app9081518.

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Salix carboniferous solid acid catalysts were successfully obtained via one-step carbonization and sulfonation of Salix psammophila in the presence of concentrated sulfuric acid, which was then used in the esterification reaction between oleic acid and methanol to prepare the biodiesel. The esterification rate of the catalyst obtained from the reaction indicated the catalytic performance of the catalyst. Afterwards, the recycling performance of the catalyst was optimized and characterized based on Fourier transform infrared spectrometer. The catalyst performance was examined and optimized thro

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Alshammari, Hamed M., Obaid F. Aldosari, Mohammad Hayal Alotaibi, et al. "Facile Synthesis and Characterization of Palladium@Carbon Catalyst for the Suzuki-Miyaura and Mizoroki-Heck Coupling Reactions." Applied Sciences 11, no. 11 (2021): 4822. http://dx.doi.org/10.3390/app11114822.

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Palladium-based carbon catalysts (Pd/C) can be potentially applied as an efficient catalyst for Suzuki–Miyaura and Mizoroki–Heck coupling reactions. Herein, a variety of catalysts of palladium on activated carbon were prepared by varying the content of ‘Pd’ via an in situ reduction method, using hydrogen as a reducing agent. The as-prepared catalysts (0.5 wt % Pd/C, 1 wt % Pd/C, 2 wt % Pd/C and 3 wt % Pd/C) were characterized using X-ray diffraction (XRD), scanning electron microscopy (SEM), energy dispersive X-ray spectroscopy (EDX) and Brunauer–Emmett–Teller (BET) analyses. The catalysts wer

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Diaz-Muñoz;, L.L., H.E. Reynel-Avila, Bitonto L. Di, D.I. Mendoza-Castillo, C. Pastore, and A. Bonilla-Petriciolet. "The potential use of calcium-doped flamboyant char as a heterogeneous catalyst in triglycerides transesterification." Bulgarian Chemical Communications Volume 51, Special Issue B (2019): 128–31. https://doi.org/10.34049/bcc.51.B.007.

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This study reports the synthesis of heterogeneous catalysts from flamboyant biomass and their evaluation on the transesterification reaction of safflower oil with methanol to produce biodiesel. The optimization of catalyst preparation conditions was performed. Results showed that the concentration of doping metallic specie was the main variable that affected the performance of flamboyant-based catalyst in the reactive system to obtain the biofuel where the highest formation of methyl esters was 93 %. Physicochemical characterization of the carbon-based catalysts was done with X-ray diffraction

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Ostrovskii, Nickolay. "An experience of catalyst design using mathematical modeling." Chemical Industry and Chemical Engineering Quarterly 12, no. 3 (2006): 187–94. http://dx.doi.org/10.2298/ciceq0603187o.

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The report concerns an approach called the "kinetic-assisted design of catalysts" that has been widely used in the literature during the last ten years. Several examples of mathematical modeling application in catalyst design are presented. The roles and ratio of the active centers of "metallic" (Pt?) and "ionic" platinum (Pt n+) and the acid centers of Al2O3 (AC) in naphtha reforming catalysts are discussed. The role of the micro-distribution of active centers in the catalyst porous structure (among the pores with different size) was analyzed. The affect of porous structure on the reactions a

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Silva, Adriano Lima da, Helder de Lucena Pereira, Herbet Bezerra Sales, et al. "Optimization of Biodiesel Production Process Using MoO3 Catalysts and Residual Oil: A Comprehensive Experimental 23 Study." Molecules 29, no. 10 (2024): 2404. http://dx.doi.org/10.3390/molecules29102404.

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The study aimed to utilize MoO3 catalysts, produced on a pilot scale via combustion reaction, to produce biodiesel from residual oil. Optimization of the process was conducted using a 23 experimental design. Structural characterization of the catalysts was performed through X-ray diffraction, fluorescence, Raman spectroscopy, and particle size distribution analyses. At the same time, thermal properties were examined via thermogravimetry and differential thermal analysis. Catalytic performance was assessed following process optimization. α-MoO3 exhibited a monophasic structure with orthorhombic

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Abdul Hadi, Nur Fadzila Mohamad, and Mahidin. "Parameters Optimization of Palm Oil Biodiesel Production at Various CaO Concentrations Using Response Surface Methodology." Journal of Advanced Research in Applied Sciences and Engineering Technology 29, no. 3 (2023): 260–71. http://dx.doi.org/10.37934/araset.29.3.260271.

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The transesterification of biodiesel using heterogeneous catalysts has recently caught interest because of its potential to overcome the limitations of homogeneous catalysts. Amongst the heterogeneous catalysts, CaO is well known for its superiority in the transesterification process due to its effectiveness, low cost, and low solubility in methanol. The paper covers the analysis of the transesterification process variables to identify the optimum condition of the process. The effect of process variables, which are catalyst concentration, methanol to oil molar ratio, and reaction temperature,

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Adami, Amirhossein, Mahda Mortazavi, and Mehran Nosratollahi. "Multi-modular design optimization and multidisciplinary design optimization." International Journal of Intelligent Unmanned Systems 3, no. 2/3 (2015): 156–70. http://dx.doi.org/10.1108/ijius-01-2015-0001.

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Purpose – For complex engineering problems, multidisciplinary design optimization (MDO) techniques use some disciplines that need to be run several times in different modules. In addition, mathematical modeling of a discipline can be improved for each module. The purpose of this paper is to show that multi-modular design optimization (MMO) improves the design performances in comparison with MDO technique for complex systems. Design/methodology/approach – MDO framework and MMO framework are developed to optimum design of a complex system. The nonlinear equality and inequality constrains are con

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Shin, Sangsoo, Hyeongyun Song, Yeon Su Shin, Jaegeun Lee, and Tae Hoon Seo. "Bayesian Optimization of Wet-Impregnated Co-Mo/Al2O3 Catalyst for Maximizing the Yield of Carbon Nanotube Synthesis." Nanomaterials 14, no. 1 (2023): 75. http://dx.doi.org/10.3390/nano14010075.

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Multimetallic catalysts have demonstrated their high potential for the controlled synthesis of carbon nanotubes (CNTs), but their development requires a more complicated optimization than that of monometallic catalysts. Here, we employed Bayesian optimization (BO) to optimize the preparation of Co-Mo/Al2O3 catalyst using wet impregnation, with the goal of maximizing carbon yield in the chemical vapor deposition (CVD) synthesis of CNTs. In the catalyst preparation process, we selected four parameters to optimize: the weight percentage of metal, the ratio of Co to Mo in the catalyst, the drying

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Castanheiro, José. "Acetalization of Glycerol with Citral over Heteropolyacids Immobilized on KIT-6." Catalysts 12, no. 1 (2022): 81. http://dx.doi.org/10.3390/catal12010081.

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Glycerol acetalization with citral was studied using a heteropolyacid (tungstophosphoric acid) supported on KIT-6, as a catalyst, at 100 °C. Different catalysts were synthesized. Catalysts were characterized by scanning electron microscopy (SEM), inductively coupled plasma (ICP), X-ray diffraction (XRD), attenuated total refletion-Fourier transform infrared spectroscopy (ATR-FTIR), and potentiometric titrations. At a fixed time, the glycerol conversion increased with the H3PW12O40 (PW) on KIT-6. PW4-KIT-6 material had a higher conversion than other catalysts. The optimization of glycerol’s ace

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Dolganova, Irena O., Igor M. Dolganov, Elena N. Ivashkina, Emilia D. Ivanchina, and Rostislav V. Romanovskiy. "Development of approach to modelling and optimization of non-stationary catalytic processes in oil refining and petrochemistry." Polish Journal of Chemical Technology 14, no. 4 (2012): 22–29. http://dx.doi.org/10.2478/v10026-012-0097-y.

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Abstract An approach to modelling of non-stationary catalytic processes of oil refining and petrochemistry is proposed. The computer modelling systems under development take into account the physical and chemical reaction laws, raw materials composition, and catalyst nature. This allows using the software for the optimization of process conditions and equipment design. The models created can be applied for solving complex problems of chemical reactors design; calculation of different variants of industrial plants reconstruction; refining and petrochemicals catalysts selection and testing; cata

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Matluck Ayomide Afolabi, Henry Chukwuemeka Olisakwe, and Thompson Odion Igunma. "A conceptual framework for designing multi-functional catalysts: Bridging efficiency and sustainability in industrial applications." Global Journal of Advanced Research and Reviews 2, no. 2 (2024): 058–66. http://dx.doi.org/10.58175/gjarr.2024.2.2.0059.

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This paper presents a conceptual framework for designing multi-functional catalysts that bridge the dual objectives of efficiency and sustainability in industrial applications. The framework emphasizes three core elements: material selection, catalyst engineering, and process optimization. The framework addresses key challenges in catalyst design by focusing on sustainable and cost-effective base materials, incorporating nano-structured components to enhance catalytic efficiency, and integrating these catalysts into industrial processes to minimize waste and energy consumption. Applications in

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Wang, Jiatang, Huawei He, Weiwei Cai, et al. "Density Functional Theory Optimization of Cobalt- and Nitrogen-Doped Graphene Catalysts for Enhanced Oxygen Evolution Reaction." Energies 16, no. 24 (2023): 7981. http://dx.doi.org/10.3390/en16247981.

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The optimization and advancement of effective catalysts in the oxygen evolution reaction (OER) are integral to the evolution of diverse green power technologies. In this study, cobalt–nitrogen–graphene (Co-N-g) catalysts are analyzed for their OER contribution via density functional theory (DFT). The influence of vacancies and nitrogen doping on catalyst performance was probed via electronic features and related Frontier Molecular Orbitals. The research reveals that the double-vacancy nitrogen-doped catalyst (DV-N4) exhibits remarkable OER effectiveness, characterized by a notably low overpote

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Poojitha, Reddy, Reddy Keerthana, Durisety Hanusha, and Pydimalla Madhuri. "Optimization of Base Catalysts for Biodiesel Production from Jatropha Curcas Oil." International Journal of Innovative Science and Modern Engineering (IJISME) 6, no. 7 (2020): 8–14. https://doi.org/10.35940/ijisme.G1237.056720.

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Rapid Industrialization has led to a drastic decline in fossil fuels giving rise to the need for environment-friendly biodiesel to fulfill the industrial appetite. Biodiesel from Jatropha curcas has significant potential for being an alternative fuel. The type of catalyst used for the production of biodiesel determines its fuel properties and is considered as a factor affecting its yield. The main objective of the current research work was to compare biodiesel properties obtained from the homogeneous and heterogeneous base catalyst. The properties were compared with ASTM standardized fuel prop

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Egorova, S. R., and A. A. Lamberov. "Experience in the Development and Implementation of Chromium-Alumina Catalysts of the KDI Series for Isobutane Dehydrogenation in a Fluidized Bed." Kataliz v promyshlennosti 22, no. 5 (2022): 61–69. http://dx.doi.org/10.18412/1816-0387-2022-5-61-69.

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The paper summarizes the experience in the development of a microspherical chromium-alumina catalyst for isobutane dehydrogenation to isobutylene according to the technology devised at Yarsintez. The development of commercial catalysts of the KDI series based on a new boehmite support was considered. Interrelations of elemental and phase composition of the catalysts with their performance were established. A new two-step scheme for producing the boehmite support by hydrothermal treatment of the thermal decomposition product of gibbsite agglomerates with a desired size makes it possible to cont

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Al-Iessa, Murtadha S., Bashir Y. Al-Zaidi, Riaydh S. Almukhtar, Zaidoon M. Shakor, and Ihsan Hamawand. "Optimization of Polypropylene Waste Recycling Products as Alternative Fuels through Non-Catalytic Thermal and Catalytic Hydrocracking Using Fresh and Spent Pt/Al2O3 and NiMo/Al2O3 Catalysts." Energies 16, no. 13 (2023): 4871. http://dx.doi.org/10.3390/en16134871.

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In this work, the conversion of waste polypropylene to alternative fuels (liquid and gas) was performed through non-catalytic thermal and catalytic hydrocracking over NiMo/Al2O3 and Pt/Al2O3 catalysts. The process was carried out in an autoclave batch reactor at a temperature of 450 °C and a pressure of 20 bar, which were selected based on experimental optimization. The spent catalyst was also successfully regenerated at 700 °C under a hot airflow. Experiments were conducted to determine the optimum conditions to completely separate the deactivated catalyst from the solid residue easily. The r

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Rahmayanti, Ardhana. "DEPOLIMERISASI PET PASCA KONSUMSI MELALUI GLIKOLISIS DENGAN KATALIS." Journal of Research and Technology 1, no. 1 (2015): 16–22. http://dx.doi.org/10.55732/jrt.v1i1.278.

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Polyethylene terephthalate (PET) is a polyester which is widely used as a container or packaging material, especially mineral water and soft drinks. Recycling is necessary to overcome the post-consumer PET waste PET difficult because degraded naturally. Chemical recycling is an appropriate method for depolymerisation. Glycolysis is the method that is often used as the process was easy. Optimization parameters of glycolysis on the rate of reaction in the efforts to improve the products of glycolysis has been done as the use of catalysts. Metal acetate catalysts such as zinc acetate is a catalys

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