Journal of the Taiwan Institute of Chemical Engineers最新文献_第10页

Transfer study for efficient and accurate modeling of natural gas desulfurization process

IF 5.5 3区工程技术 Q1 ENGINEERING, CHEMICAL

Journal of the Taiwan Institute of Chemical Engineers

Pub Date : 2025-02-14 DOI: 10.1016/j.jtice.2025.106018

Shihui Wang , Wei Jiang , Bin Zheng , Qisong Liu , Xu Ji , Ge He

Background

Accurate modeling of the natural gas desulfurization process enables enterprises to maintain stable production, optimize efficiency, improve product gas quality, and ensure compliance with environmental regulations. Considering the limitations of the availability of industrial data, machine learning models, mechanism models, and hybrid models integrating both may become inefficient or inaccurate.

Methods

To bridge this gap, a transfer learning-based modeling method for the natural gas desulfurization process was proposed. Firstly, a deep neural network model was developed to predict the hydrogen sulfide content in the product gas, based on mechanism-based calculations. Subsequently, a small dataset from the target scenario was utilized to fine-tune model parameters for accurate predictions under actual production conditions.

Significant Findings

The result demonstrates that the established model provides more stable and accurate predictions compared to traditional machine learning models, achieving over a 20 % reduction in prediction error while also enhancing modeling efficiency. Finally, the interpretability analysis of the proposed model reveals that the prediction capability of the model in actual production scenarios was rationally and effectively improved at a low computational cost through transfer learning. This work offers a novel paradigm for developing modeling methods tailored to the practical production processes of natural gas desulfurization.

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引用次数: 0

Synthesis of highly porous covalent organic frameworks for green hydrogen storage applications

IF 5.5 3区工程技术 Q1 ENGINEERING, CHEMICAL

Journal of the Taiwan Institute of Chemical Engineers

Pub Date : 2025-02-13 DOI: 10.1016/j.jtice.2025.106005

Amani Chrouda , Chaker Briki , Khalifa Slimi , Abdelmajid Jemni , Mohsen Ahmadipour

Background

Hydrogen is a clean energy source that is commonly available in the natural world. As an alternative energy option, hydrogen proves exceptionally valuable as green fuel. Hydrogen fuel cells further contribute to unprecedented vehicle efficiencies. One of the main obstacles to hydrogen's widespread use as an energy source is its safe and effective storage. Because of their intrinsic characteristics, COF-MTF stands out as a new family exhibit notable flexibility and a porous structure making them versatile for hydrogen storage and clean energy applications.

Methods

This study aimed to develop an innovative Covalent Organic Framework based on melamine-terephthalaldehyde (COF-MTF) for efficient and sustainable hydrogen storage. The COF-MTF was prepared by directly reacting melamine with terephthalaldehyde through a schiff base reaction. Characterization of the sample was conducted using various techniques, including thermogravimetric analysis (TGA), Fourier-transform infrared spectroscopy (FTIR), scanning electron microscopy (SEM), and Brunauer-Emmett-Teller (BET) surface area analysis.

Significant findings

The synthesized COF-MTF networks demonstrated a significant BET surface area of 1986 m².g^-1. It demonstrated notable isosteric heat of adsorption values between 28.7 and 33.5 kJ/mol and achieved a maximum N₂ uptake of 171 mg (N₂)/g at 298 K and 25 atm. Subjected to repeated cycles of H₂ gas adsorption, COF-MTF highlighted exceptional adsorbent stability, maintaining over 99.9 % of its adsorption capacity after 10 cycles. The calculated isosteric heat of hydrogen adsorption by the COF-MTF compound equals 8.447 KJ.mol⁻¹. With relatively high H₂ uptake, this study highlighted COF-MTF as a promising candidate for advancing green hydrogen storage technologies to achieve sustainable development goals (SDGs).

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引用次数: 0

Revisiting the softening and melting behavior of sinter under simulated blast furnace conditions: Part I – Thermodynamic and experimental insights on working line

IF 5.5 3区工程技术 Q1 ENGINEERING, CHEMICAL

Journal of the Taiwan Institute of Chemical Engineers

Pub Date : 2025-02-13 DOI: 10.1016/j.jtice.2025.106013

Yu-ning Chiu , Kai-chun Chang , Wen-chien Tsai , Yu-jia Hu , Jia-shyan Shiau , Ke-miao Lu , Tsung-yen Huang , Shan-wen Du , Ping-chieh Cheng , Yi-chen Kuo , Ker-chang Hsieh , Hao-long Chen , Shih-kang Lin

Background

Due to the complex reaction conditions within the blast furnace (BF), often termed a “black box”, previous research has largely relied on oversimplified experimental setups. This limitation has significantly impeded the accurate investigation of the detailed mechanisms governing the softening and melting (S&M) behaviors of sinter ore. To address these challenges, this study establishes experimental conditions designed to more closely replicate the internal BF environment, guided by the concept of the BF working line.

Methods

A novel Blast Furnace Simulator, equipped with an in-line mass spectrometry (MS) gas analyzer, was employed to replicate the BF conditions with high fidelity. The exhaust gas compositions were continuously monitored and quantified, enabling precise calculations of the indirect, direct, and overall reduction degrees during the experiment.

Significant Findings

A mechanistic understanding of key S&M behaviors, including mechanical softening at 1000 °C, physico-chemical softening at 1150 °C, and the sharp pressure drop accompanied by the collapse of the core-shell structure at 1330 °C, is characterized. The findings underscore the critical role of the core-shell structure in maintaining gas diffusion pathways, which are closely tied to the permeability performance of BF operations. These insights into S&M mechanisms under simulated BF conditions provide a strong foundation for advancing research on hydrogen-enriched BF operations.

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引用次数: 0

Enhanced performance of air gap membrane distillation for azo dye wastewater treatment using oxygen-plasma-modified PVDF and PTFE membranes

IF 5.5 3区工程技术 Q1 ENGINEERING, CHEMICAL

Journal of the Taiwan Institute of Chemical Engineers

Pub Date : 2025-02-12 DOI: 10.1016/j.jtice.2025.106006

Hismi Susane , Ya-Fen Wang , Sheng-Jie You

Background

Membrane distillation (MD) faces challenges, such as low permeate flux, membrane fouling, and wetting. Recent advancements have focused on membrane surface modification to improve efficiency of MD, with plasma irradiation emerging as a promising technique.

Methods

Polytetrafluoroethylene (PTFE) and polyvinylidene fluoride (PVDF) membranes were modified by oxygen plasma irradiation and applied in air gap membrane distillation (AGMD) to treat dye wastewater, specifically CI Reactive Red 241 (RR) and CI Acid Yellow 79 (AY). Permeate flux, color removal efficiency, and fouling factors were also evaluated.

Significant Findings

The modified membranes exhibited changes in surface morphology and increased surface roughness with water contact angles of 135° (PVDF) and 145° (PTFE). The highest average permeate flux for the modified PTFE was 9.53 kg/m².h during the water test, and decreased with increasing dye concentration. The color removal exceeded 99 % with fouling factors of 24.57 % for RR and 35.10 % for AY. The modified PVDF membrane achieved a permeate flux of 17.50 kg/m².h for AY. However, the color removal was only 48.92 %, suggesting wetting issues. Plasma-modified PTFE can potentially improve the AGMD performance in dye treatment; however, further optimization of the modified PVDF is needed. This study emphasizes the importance of understanding the chemical interactions between dyes and membrane materials for optimizing the AGMD processes.

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引用次数: 0

Corrigendum to “Sun-light-driven Z-scheme photocatalytic annihilation of Rhodamine B, Hydrogen production and stability assessment via facile hydrothermal preparation of novel nanocomposite Nb2O5/TiS2” [Journal of the Taiwan Institute of Chemical Engineers 169 (2025) 105976-105989]

IF 5.5 3区工程技术 Q1 ENGINEERING, CHEMICAL

Journal of the Taiwan Institute of Chemical Engineers

Pub Date : 2025-02-11 DOI: 10.1016/j.jtice.2025.106010

Muhammad Tanveer , M.A Qadeer , Ahmad Ruhan Ali , Jineetkumar Gawad , Husnain Haider Cheema , Safeera Yasmeen , Abdulaziz Bentalib , Muhammad Tahir

引用次数: 0

Engineering heterojunction of multi-morphologies and bifunctional hybrid rGO-V2O5 embedded CeO2 nanostructures for robust visible-light-driven dye degradation and supercapacitor

IF 5.5 3区工程技术 Q1 ENGINEERING, CHEMICAL

Journal of the Taiwan Institute of Chemical Engineers

Pub Date : 2025-02-11 DOI: 10.1016/j.jtice.2025.106002

Sahil S Magdum , Mrunal Bhosale , Gowthami Palanisamy , Karuppaiah Selvakumar , Sadhasivam Thangarasu , Tae Hwan Oh

Background

The photocatalytic degradation of organic pollutants utilizing advanced semiconductor materials has attracted significant attention for achieving pollutant-free water systems. Assessing the photocatalytic properties of materials for energy storage applications within the framework of designing a singular material capable of fulfilling multiple functions.

Methods

The fabrication of a ternary nanostructured heterojunction photocatalyst composed of rGO, V₂O₅, and CeO₂ developed through a facile solvothermal process. Systematic investigations of rGO-V₂O₅-CeO₂ (rG-V-C) photocatalysts were conducted by varying catalyst compositions, doses, and pH levels.

Significant Findings

The nanostructured rG-V-C enhances the surface properties of photocatalyst, which creates abundant active sites, and significantly facilitate charge carrier transfer for boosting dye degradation efficiency. The optimal rG-V-C-1 catalyst demonstrated remarkable photocatalytic performance, achieving 94.15 % rhodamine B (RhB) degradation under visible-light irradiation within 90 min. Scavenger tests indicated that generating O₂^•− and ^•OH radicals is the primary mechanism for enhanced RhB degradation. The excellent photocatalytic performance of rG-V-C composite is attributed to compelling synergy, which prevents photogenerated electron-hole recombination, and enhances charge separation and transfer. Furthermore, the rG-V-C composite showed efficient supercapacitor performances due to the existence of a synergetic effect via effective interaction between each compound in the composite structure (462 F/g at 1A g⁻¹ in a 1MLiClO₄-PC).

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引用次数: 0

Investigation of transport and acoustic properties of binary mixtures of 2–amino–1–butanol with isomeric butanol at 298.15 K–318.15 K: Graph theoretical approach and bloomfield–Devan model

IF 5.5 3区工程技术 Q1 ENGINEERING, CHEMICAL

Journal of the Taiwan Institute of Chemical Engineers

Pub Date : 2025-02-10 DOI: 10.1016/j.jtice.2025.106001

Sweety Verma , Kavitha Kumari , Suman Gahlyan , Seung Jun Baek , Juwon Min , Sanjeev Maken

Background

Transport and acoustic properties for binary mixtures of 2–amino-1–butanol (2AB) with isomeric butanol were measured across the temperature range (298.15–318.15) K. This study focuses on the deviation in viscosity (

Δ η

), speed of sound (

Δ u

), and excess isentropic compressibility (

κ_{S}^{E}

) to explore the intermolecular interactions in the mixtures.

Methodology

The

Δ η

,

Δ u

, and

κ_{S}^{E}

were derived from experimental measurements. The Bloomfield–Devan model (BFD) and the Graph theoretical approach (GTA) were applied to analyze the

Δ η

and

κ_{S}^{E}

data at 298.15 K, respectively. Several empirical relations–such as Nomoto, Van Dael, Impedance, and Schaaff's collision factor (CFT) theory were used to corroborate the

Δ u

data. In contrast, Jacobson's free length theory (JFLT) was employed to predict the

Δ u

data.

Significant Findings

The excess/deviation in properties was analyzed to elucidate intermolecular interactions in the mixtures. The

Δ η

values exhibit the pattern: tert–butanol > sec–butanol > isobutanol > n–butanol whereas

Δ u

values follow an opposite trend. Theoretical predictions aligned closely with experimental results, and the impact of temperature on the observed properties was also analyzed.

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引用次数: 0

Solubility, solvent effects and thermodynamic properties of N-Ethyl-p-toluenesulfonamide in twelve pure organic solvents

IF 5.5 3区工程技术 Q1 ENGINEERING, CHEMICAL

Journal of the Taiwan Institute of Chemical Engineers

Pub Date : 2025-02-07 DOI: 10.1016/j.jtice.2025.106009

Xiao Bian , Guangle Wang , Weibing Dong , Xiaobo Yang , Zhiguo Song , Yongwen Ying , Yi Zhang

Background

The investigation of the solubility of N-Ethyl-p-toluenesulfonamide (N-PTSA) in organic solvents is crucial for its separation and purification in industrial processes.

Methods

The main interaction sites and interaction forces between N-PTSA molecules were identified through surface electrostatic, Hirshfeld surface, and 2D fingerprints analysis. And, the impact of solvent type on solubility was forecasted. Then, we utilized a traditional gravimetric method to determine the solubility of N-PTSA within a group of twelve pure solvents. These solvents included alcohols, esters, as well as ketones. The temperature ranging from 278.15 K to 323.15 K.

Significant Findings

The solubility of N-PTSA increases consistently with rising temperature across all solvents. Additionally, the solubility data was correlated using the modified Apelblat model, λh model, van't Hoff model, and NRTL model. The average values of average relative deviation are all below 5 %, indicates that all four selected models demonstrate accurate fits on the solubility data. In addition, the solute-solvent interaction results obtained from activity coefficient calculation further explain the reasons for the solubility differences of N-PTSA in different types of solvents. Finally, the positive apparent thermodynamic parameters values of Δ_solH⁰, Δ_solG⁰, and Δ_solS⁰ reveals that the dissolution of N-PTSA in all the neat solvents is an endothermic, non-spontaneous and entropy-driven process.

{"title":"Solubility, solvent effects and thermodynamic properties of N-Ethyl-p-toluenesulfonamide in twelve pure organic solvents","authors":"Xiao Bian , Guangle Wang , Weibing Dong , Xiaobo Yang , Zhiguo Song , Yongwen Ying , Yi Zhang","doi":"10.1016/j.jtice.2025.106009","DOIUrl":"10.1016/j.jtice.2025.106009","url":null,"abstract":"<div><h3>Background</h3><div>The investigation of the solubility of N-Ethyl-p-toluenesulfonamide (N-PTSA) in organic solvents is crucial for its separation and purification in industrial processes.</div></div><div><h3>Methods</h3><div>The main interaction sites and interaction forces between N-PTSA molecules were identified through surface electrostatic, Hirshfeld surface, and 2D fingerprints analysis. And, the impact of solvent type on solubility was forecasted. Then, we utilized a traditional gravimetric method to determine the solubility of N-PTSA within a group of twelve pure solvents. These solvents included alcohols, esters, as well as ketones. The temperature ranging from 278.15 K to 323.15 K.</div></div><div><h3>Significant Findings</h3><div>The solubility of N-PTSA increases consistently with rising temperature across all solvents. Additionally, the solubility data was correlated using the modified Apelblat model, λh model, van't Hoff model, and NRTL model. The average values of average relative deviation are all below 5 %, indicates that all four selected models demonstrate accurate fits on the solubility data. In addition, the solute-solvent interaction results obtained from activity coefficient calculation further explain the reasons for the solubility differences of N-PTSA in different types of solvents. Finally, the positive apparent thermodynamic parameters values of Δ<sub>sol</sub><em>H</em><sup>0</sup>, Δ<sub>sol</sub><em>G</em><sup>0</sup>, and Δ<sub>sol</sub><em>S</em><sup>0</sup> reveals that the dissolution of N-PTSA in all the neat solvents is an endothermic, non-spontaneous and entropy-driven process.</div></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"170 ","pages":"Article 106009"},"PeriodicalIF":5.5,"publicationDate":"2025-02-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143348018","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Multi-Technique assessment of zaleplon for corrosion control in mild steel using 1M HCl media: A study incorporating molecular dynamics, electrochemical testing, and morphological evaluation

IF 5.5 3区工程技术 Q1 ENGINEERING, CHEMICAL

Journal of the Taiwan Institute of Chemical Engineers

Pub Date : 2025-02-05 DOI: 10.1016/j.jtice.2025.105995

Abhinay Thakur , Omar Dagdag , Avni Berisha , Valentine Chikaodili Anadebe , Deepak Sharma , Hari Om , Ashish Kumar

Background

Corrosion of mild steel in acidic environments is a significant concern, leading to material degradation and failure in several industrial applications. This study investigates the efficacy of Zaleplon as a corrosion inhibitor for mild steel in 1 M HCl media, a critical concern for the longevity and safety of steel structures.

Methods

The study employed various analytical techniques including electrochemical impedance spectroscopy, potentiodynamic polarization, and surface analysis methods such as scanning electron microscopy, energy-dispersive X-ray spectroscopy, etc. Additionally, Density Functional Theory, Monte Carlo and Molecular Dynamics Simulations were performed to understand the interaction mechanisms at the molecular level.

Significant Findings

The results demonstrated that Zaleplon significantly enhances the corrosion resistance of mild steel. Weight loss measurements showed Zaleplon reduced mild steel corrosion rate by achieving 90.4% inhibition efficiency at 600 ppm. EIS data indicated charge transfer resistance increased from 59.88 Ω cm² (untreated) to 131.67 Ω cm² (600 ppm), with 94.57% efficiency. SEM revealed fewer corrosion pits in treated samples, and EDX confirmed higher iron content. Activation energy rose from 19.975 kJ/mol (untreated) to 49.973 kJ/mol (600 ppm). Molecular dynamics simulations showed strong Zaleplon adsorption with -226.05 kcal/mol energy, highlighting Zaleplon's potential for protecting mild steel in acidic environments.

{"title":"Multi-Technique assessment of zaleplon for corrosion control in mild steel using 1M HCl media: A study incorporating molecular dynamics, electrochemical testing, and morphological evaluation","authors":"Abhinay Thakur , Omar Dagdag , Avni Berisha , Valentine Chikaodili Anadebe , Deepak Sharma , Hari Om , Ashish Kumar","doi":"10.1016/j.jtice.2025.105995","DOIUrl":"10.1016/j.jtice.2025.105995","url":null,"abstract":"<div><h3>Background</h3><div>Corrosion of mild steel in acidic environments is a significant concern, leading to material degradation and failure in several industrial applications. This study investigates the efficacy of Zaleplon as a corrosion inhibitor for mild steel in 1 M HCl media, a critical concern for the longevity and safety of steel structures.</div></div><div><h3>Methods</h3><div>The study employed various analytical techniques including electrochemical impedance spectroscopy, potentiodynamic polarization, and surface analysis methods such as scanning electron microscopy, energy-dispersive X-ray spectroscopy, etc. Additionally, Density Functional Theory, Monte Carlo and Molecular Dynamics Simulations were performed to understand the interaction mechanisms at the molecular level.</div></div><div><h3>Significant Findings</h3><div>The results demonstrated that Zaleplon significantly enhances the corrosion resistance of mild steel. Weight loss measurements showed Zaleplon reduced mild steel corrosion rate by achieving 90.4% inhibition efficiency at 600 ppm. EIS data indicated charge transfer resistance increased from 59.88 Ω cm² (untreated) to 131.67 Ω cm² (600 ppm), with 94.57% efficiency. SEM revealed fewer corrosion pits in treated samples, and EDX confirmed higher iron content. Activation energy rose from 19.975 kJ/mol (untreated) to 49.973 kJ/mol (600 ppm). Molecular dynamics simulations showed strong Zaleplon adsorption with -226.05 kcal/mol energy, highlighting Zaleplon's potential for protecting mild steel in acidic environments.</div></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"170 ","pages":"Article 105995"},"PeriodicalIF":5.5,"publicationDate":"2025-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143144503","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Effect of Co doping on active oxygen species of CoxCe1-xOy mixed oxide catalysts derived from MOF materials for soot combustion

IF 5.5 3区工程技术 Q1 ENGINEERING, CHEMICAL

Journal of the Taiwan Institute of Chemical Engineers

Pub Date : 2025-02-05 DOI: 10.1016/j.jtice.2025.106003

Junhao Jing , Zhitao Han , Yubin Liu , Chuanqiu Gao , Tingjun Liu , Liangzheng Lin , Sihan Yin , Dong Ma

Background

Cerium-based materials have the potential to be used as catalysts for diesel particulate filters. The development of Cerium-based MOF derived catalysts is an important way to explore these materials for DPF applications.

Methods

In this work, Co_xCe_1-_xO_y catalysts were synthesized by calcining cobalt-cerium bimetallic MOF precursors. The prepared catalysts were characterized using XRD, Raman, SEM, N₂ adsorption-desorption, XPS, H₂-TPR, and O₂-TPD, and tested for soot oxidation activity and performed DFT calculations.

Significant findings

Raman spectra analysis revealed that Co_0.2Ce_0.8O_y catalyst had a larger maximum half-width and was more likely to form oxygen defects. Compared with CeO₂ catalyst, N₂ adsorption-desorption results demonstrated that Co_0.2Ce_0.8O_y catalyst possessed a larger specific surface area (61.4 m²·g⁻¹). XPS, H₂-TPR, and O₂-TPD characterizations indicated that Co_0.2Ce_0.8O_y catalyst possessed a higher content of active oxygen (45.2 %), a greater consumption amount of hydrogen (7.5 mmol·g⁻¹), and a larger total desorption amount of oxygen species (1.16 mmol·g⁻¹). Catalytic activity test results showed that Co_0.2Ce_0.8O_y catalyst exhibited better soot oxidation activity (T₉₀ = 406 °C). DFT calculations demonstrated that Co_0.2Ce_0.8O_y catalyst had a larger surface energy (0.44 J/m²) and a smaller oxygen vacancy formation energy (2.26 eV).

{"title":"Effect of Co doping on active oxygen species of CoxCe1-xOy mixed oxide catalysts derived from MOF materials for soot combustion","authors":"Junhao Jing , Zhitao Han , Yubin Liu , Chuanqiu Gao , Tingjun Liu , Liangzheng Lin , Sihan Yin , Dong Ma","doi":"10.1016/j.jtice.2025.106003","DOIUrl":"10.1016/j.jtice.2025.106003","url":null,"abstract":"<div><h3>Background</h3><div>Cerium-based materials have the potential to be used as catalysts for diesel particulate filters. The development of Cerium-based MOF derived catalysts is an important way to explore these materials for DPF applications.</div></div><div><h3>Methods</h3><div>In this work, Co<em><sub>x</sub></em>Ce<sub>1-</sub><em><sub>x</sub></em>O<em><sub>y</sub></em> catalysts were synthesized by calcining cobalt-cerium bimetallic MOF precursors. The prepared catalysts were characterized using XRD, Raman, SEM, N<sub>2</sub> adsorption-desorption, XPS, H<sub>2</sub>-TPR, and O<sub>2</sub>-TPD, and tested for soot oxidation activity and performed DFT calculations.</div></div><div><h3>Significant findings</h3><div>Raman spectra analysis revealed that Co<sub>0.2</sub>Ce<sub>0.8</sub>O<em><sub>y</sub></em> catalyst had a larger maximum half-width and was more likely to form oxygen defects. Compared with CeO<sub>2</sub> catalyst, N<sub>2</sub> adsorption-desorption results demonstrated that Co<sub>0.2</sub>Ce<sub>0.8</sub>O<em><sub>y</sub></em> catalyst possessed a larger specific surface area (61.4 m<sup>2</sup>·g<sup>−1</sup>). XPS, H<sub>2</sub>-TPR, and O<sub>2</sub>-TPD characterizations indicated that Co<sub>0.2</sub>Ce<sub>0.8</sub>O<em><sub>y</sub></em> catalyst possessed a higher content of active oxygen (45.2 %), a greater consumption amount of hydrogen (7.5 mmol·g⁻¹), and a larger total desorption amount of oxygen species (1.16 mmol·g⁻¹). Catalytic activity test results showed that Co<sub>0.2</sub>Ce<sub>0.8</sub>O<em><sub>y</sub></em> catalyst exhibited better soot oxidation activity (T<sub>90</sub> = 406 °C). DFT calculations demonstrated that Co<sub>0.2</sub>Ce<sub>0.8</sub>O<em><sub>y</sub></em> catalyst had a larger surface energy (0.44 J/m<sup>2</sup>) and a smaller oxygen vacancy formation energy (2.26 eV).</div></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":"170 ","pages":"Article 106003"},"PeriodicalIF":5.5,"publicationDate":"2025-02-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143144527","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0