Pub Date : 2024-10-30DOI: 10.1016/j.jiec.2024.10.047
Kamrun Nahar , Mojtaba Hedayati Marzbali , Ibrahim Gbolahan Hakeem , Abhishek Sharma , Ken Chiang , Aravind Surapaneni , Rajender Gupta , Andrew Ball , Kalpit Shah
Sewage sludges, such as primary sludge (PS), thickened waste-activated sludge (TWAS), and digested sludge (DS), are generated at different stages during the wastewater treatment process. The intrinsic difference in the biochemical and physicochemical properties of these sludge materials may impact their transformation during hydrothermal treatment. This study comprehensively investigated the hydrothermal processing of PS, TWAS, and DS over a range of hydrothermal carbonisation to liquefaction temperatures (180–270 °C). Organic matter conversion increased with temperature but varied with sludge types. The physicochemical, thermal, and textural properties of the produced hydrochar varied substantially with temperature and sludge types. Hydrochar produced from PS at 270 °C had a higher fuel ratio (0.80), calorific value (20.8 MJ/kg), carbon content (48.2 %), and lower ash content (24.4 %) compared to hydrochar produced from other sludge feedstocks. Heavy metals in the feed materials were largely retained in the hydrochar with more than 95 % recovery at all temperatures. Bio-oil products were fractionated into heavy and light bio-oil, and their compositions differed greatly. The aqueous phase product from TWAS and DS had total N, P, K content reaching 5000 mg/L. The findings of this work demonstrate the potential of hydrothermal processing for the valorisation of wastewater sludges into value-added products.
{"title":"Hydrothermal processing of primary, waste-activated, and digested sewage sludge: Products characterisation, fate of heavy metals and nutrients, and process integration","authors":"Kamrun Nahar , Mojtaba Hedayati Marzbali , Ibrahim Gbolahan Hakeem , Abhishek Sharma , Ken Chiang , Aravind Surapaneni , Rajender Gupta , Andrew Ball , Kalpit Shah","doi":"10.1016/j.jiec.2024.10.047","DOIUrl":"10.1016/j.jiec.2024.10.047","url":null,"abstract":"<div><div>Sewage sludges, such as primary sludge (PS), thickened waste-activated sludge (TWAS), and digested sludge (DS), are generated at different stages during the wastewater treatment process. The intrinsic difference in the biochemical and physicochemical properties of these sludge materials may impact their transformation during hydrothermal treatment. This study comprehensively investigated the hydrothermal processing of PS, TWAS, and DS over a range of hydrothermal carbonisation to liquefaction temperatures (180–270 °C). Organic matter conversion increased with temperature but varied with sludge types. The physicochemical, thermal, and textural properties of the produced hydrochar varied substantially with temperature and sludge types. Hydrochar produced from PS at 270 °C had a higher fuel ratio (0.80), calorific value (20.8 MJ/kg), carbon content (48.2 %), and lower ash content (24.4 %) compared to hydrochar produced from other sludge feedstocks. Heavy metals in the feed materials were largely retained in the hydrochar with more than 95 % recovery at all temperatures. Bio-oil products were fractionated into heavy and light bio-oil, and their compositions differed greatly. The aqueous phase product from TWAS and DS had total N, P, K content reaching 5000 mg/L. The findings of this work demonstrate the potential of hydrothermal processing for the valorisation of wastewater sludges into value-added products.</div></div>","PeriodicalId":363,"journal":{"name":"Journal of Industrial and Engineering Chemistry","volume":"145 ","pages":"Pages 519-533"},"PeriodicalIF":5.9,"publicationDate":"2024-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143488877","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2024-10-30DOI: 10.1016/j.jiec.2024.10.063
F.F.A. Aziz , S.N. Timmiati , S. Samidin , A.A. Fauzi , W.N.R. Wan Isahak , N. Chitraningrum , A.A. Jalil , A.F. Zainul Abidin , M.N.I. Salehmin
One of the greenest techniques to mitigate the current issues of global climate and energy crisis is to transform CO2 into value-added chemicals. Recently, catalysts composed of supported isolated metal atoms were fabricated for CO2 conversion to methane. Herein, to offer direction for the logical design of efficient catalysts, this review focused on the development of these catalysts in thermo-, photo- and electro-catalytic reactions of CO2 methanation. In addition, the theoretical study on the structure of single atoms anchored to the supported materials and the mechanism of the designed catalysts towards active species were reviewed to construct effective catalysts for CO2 methanation. The challenges and future prospects on the merits of combining isolated-atom catalysts with their support materials were also addressed. This review not only highlighted the single-atom-based catalyst development but also offered strategies for designing particular catalysts to be utilized in actual industrial applications in CO2 to methane.
{"title":"Insight into supported single-atom catalysts design for thermocatalytic, electrocatalytic and photocatalytic conversion CO2 to CH4","authors":"F.F.A. Aziz , S.N. Timmiati , S. Samidin , A.A. Fauzi , W.N.R. Wan Isahak , N. Chitraningrum , A.A. Jalil , A.F. Zainul Abidin , M.N.I. Salehmin","doi":"10.1016/j.jiec.2024.10.063","DOIUrl":"10.1016/j.jiec.2024.10.063","url":null,"abstract":"<div><div>One of the greenest techniques to mitigate the current issues of global climate and energy crisis is to transform CO<sub>2</sub> into value-added chemicals. Recently, catalysts composed of supported isolated metal atoms were fabricated for CO<sub>2</sub> conversion to methane. Herein, to offer direction for the logical design of efficient catalysts, this review focused on the development of these catalysts in thermo-, photo- and electro-catalytic reactions of CO<sub>2</sub> methanation. In addition, the theoretical study on the structure of single atoms anchored to the supported materials and the mechanism of the designed catalysts towards active species were reviewed to construct effective catalysts for CO<sub>2</sub> methanation. The challenges and future prospects on the merits of combining isolated-atom catalysts with their support materials were also addressed. This review not only highlighted the single-atom-based catalyst development but also offered strategies for designing particular catalysts to be utilized in actual industrial applications in CO<sub>2</sub> to methane.</div></div>","PeriodicalId":363,"journal":{"name":"Journal of Industrial and Engineering Chemistry","volume":"145 ","pages":"Pages 99-122"},"PeriodicalIF":5.9,"publicationDate":"2024-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143487912","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}
Pub Date : 2024-10-30DOI: 10.1016/j.jiec.2024.10.070
Woo Hyeong Ro , Won Il Choi , Jong-Min Lim
The preparation of hydrophobic paper involved applying thin layers of non-biodegradable plastics to the paper, which made recycling difficult and contributed to microplastic pollution. In this study, we present a new method for coating paper to enhance its hydrophobic properties and long-term effectiveness of the hydrophobic surface. We use sustainable materials such as polyvinyl alcohol (PVOH), chitosan, monoaminopropyl terminated polydimethylsiloxane (PDMS), and silica nanoparticles (SiNPs). We use hexamethylene diisocyanate isocyanurate trimer (HDIT) and (3-aminopropyl)triethoxysilane (APTES) to link the chemicals covalently and to modify surface of SiNPs with amino groups, respectively. We also integrate PVOH to reduce the cost of the coating solution without compromising its hydrophobicity. We confirmed the long-lasting hydrophobicity of the coated paper by measuring the water contact angle for 60 min. When the paper coated with a solution containing amino SiNPs dispersed in ethanol, the maximum contact angle at 10 s and at 1 h were 132.3° and 95.7°, respectively. Additionally, the hydrophobic coating solution can be removed for potential recycling by treating it with hydrochloric acid or acetic acid. Our developed coating solution provides an environmentally friendly option for various paper-based applications, promoting paper recycling and contributing to sustainable development and environmental protection efforts.
{"title":"Sustainable hydrophobic coating of paper utilizing silica nanoparticles","authors":"Woo Hyeong Ro , Won Il Choi , Jong-Min Lim","doi":"10.1016/j.jiec.2024.10.070","DOIUrl":"10.1016/j.jiec.2024.10.070","url":null,"abstract":"<div><div>The preparation of hydrophobic paper involved applying thin layers of non-biodegradable plastics to the paper, which made recycling difficult and contributed to microplastic pollution. In this study, we present a new method for coating paper to enhance its hydrophobic properties and long-term effectiveness of the hydrophobic surface. We use sustainable materials such as polyvinyl alcohol (PVOH), chitosan, monoaminopropyl terminated polydimethylsiloxane (PDMS), and silica nanoparticles (SiNPs). We use hexamethylene diisocyanate isocyanurate trimer (HDIT) and (3-aminopropyl)triethoxysilane (APTES) to link the chemicals covalently and to modify surface of SiNPs with amino groups, respectively. We also integrate PVOH to reduce the cost of the coating solution without compromising its hydrophobicity. We confirmed the long-lasting hydrophobicity of the coated paper by measuring the water contact angle for 60 min. When the paper coated with a solution containing amino SiNPs dispersed in ethanol, the maximum contact angle at 10 s and at 1 h were 132.3° and 95.7°, respectively. Additionally, the hydrophobic coating solution can be removed for potential recycling by treating it with hydrochloric acid or acetic acid. Our developed coating solution provides an environmentally friendly option for various paper-based applications, promoting paper recycling and contributing to sustainable development and environmental protection efforts.</div></div>","PeriodicalId":363,"journal":{"name":"Journal of Industrial and Engineering Chemistry","volume":"145 ","pages":"Pages 745-754"},"PeriodicalIF":5.9,"publicationDate":"2024-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143488881","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}
Pub Date : 2024-10-30DOI: 10.1016/j.jiec.2024.10.052
Mohamed A. Ismail , Zaina Algarni , Maryam hussein abdulameer , Dheyaa J. Jasim , M.A. Diab , Heba A. El-Sabban , Mukhtorjon Karimov , Abdelfattah Amari
Pollution of water resources by a range of organic and inorganic non-degradable contaminants is becoming increasingly problematic. This study presents a novel Fe3O4/SiO2/ZIF-67 (FSZ) nanocomposite for removing tetracycline (TC) and hexavalent chromium (Cr6+). The synthesis began with the preparation of Fe3O4, SiO2, and ZIF-67 components. Following this, various loadings of the binary SiO2/ZIF-67 were prepared. Finally, the ternary FSZ adsorbents were synthesized by impregnating 1, 3, 5, 7, and 9 wt% of Fe3O4 nanoparticles (NPs) onto the optimized binary SiO2/ZIF-67 NPs. Characterization techniques such as SEM, TEM, BET, EDS, XRD, and XPS were performed. The removal efficiencies were optimized using the RSM-CCD, considering factors like composite dosage, reaction time, pH levels, and contaminants concentration. Optimal composite dosages of 0.69 g/L for TC and 1.68 g/L for Cr6+, pH values of 6.05 for TC and 6.06 for Cr6+, reaction times of 90 min for TC and 57 min for Cr6+, and contaminant concentrations of 25.47 mg/L for TC and 2683.2 ppb for Cr6+ were achieved. Removal rates of 98.53 % for TC and 97.45 % for Cr6+ were achieved under optimal conditions. Moreover, various kinetic and isothermal adsorption models were applied. The FSZ composite maintained high removal efficiencies for Cr6+ (81.14 %) and TC (79.82 %) after four cycles. Its performance was assessed in various water types, including deionized water, river water, and municipal wastewater. Additionally, the FSZ composite effectively removed other contaminants, achieving high efficiencies for cadmium (95.18 %), lithium (83.42 %), arsenic (88.29 %), sulfamethoxazole (87.38 %), doxycycline (96.15 %), and cefixime (81.97 %). Finally, the mechanisms responsible for the removal of TC and Cr6+ were evaluated. The sustainable synthesis of FSZ provides a valuable foundation for future studies focused on Cr6+ and TC removal, offering a potential solution to pressing environmental challenges.
{"title":"Utilizing RSM-CCD for optimizing the removal of Cr(VI) and tetracycline over a new recyclable Fe3O4/SiO2/ZIF-67 composite: Isotherms, kinetics, and mechanism","authors":"Mohamed A. Ismail , Zaina Algarni , Maryam hussein abdulameer , Dheyaa J. Jasim , M.A. Diab , Heba A. El-Sabban , Mukhtorjon Karimov , Abdelfattah Amari","doi":"10.1016/j.jiec.2024.10.052","DOIUrl":"10.1016/j.jiec.2024.10.052","url":null,"abstract":"<div><div>Pollution of water resources by a range of organic and inorganic non-degradable contaminants is becoming increasingly problematic. This study presents a novel Fe<sub>3</sub>O<sub>4</sub>/SiO<sub>2</sub>/ZIF-67 (FSZ) nanocomposite for removing tetracycline (TC) and hexavalent chromium (Cr<sup>6+</sup>). The synthesis began with the preparation of Fe<sub>3</sub>O<sub>4</sub>, SiO<sub>2</sub>, and ZIF-67 components. Following this, various loadings of the binary SiO<sub>2</sub>/ZIF-67 were prepared. Finally, the ternary FSZ adsorbents were synthesized by impregnating 1, 3, 5, 7, and 9 wt% of Fe<sub>3</sub>O<sub>4</sub> nanoparticles (NPs) onto the optimized binary SiO<sub>2</sub>/ZIF-67 NPs. Characterization techniques such as SEM, TEM, BET, EDS, XRD, and XPS were performed. The removal efficiencies were optimized using the RSM-CCD, considering factors like composite dosage, reaction time, pH levels, and contaminants concentration. Optimal composite dosages of 0.69 g/L for TC and 1.68 g/L for Cr<sup>6+</sup>, pH values of 6.05 for TC and 6.06 for Cr<sup>6+</sup>, reaction times of 90 min for TC and 57 min for Cr<sup>6+</sup>, and contaminant concentrations of 25.47 mg/L for TC and 2683.2 ppb for Cr<sup>6+</sup> were achieved. Removal rates of 98.53 % for TC and 97.45 % for Cr<sup>6+</sup> were achieved under optimal conditions. Moreover, various kinetic and isothermal adsorption models were applied. The FSZ composite maintained high removal efficiencies for Cr<sup>6+</sup> (81.14 %) and TC (79.82 %) after four cycles. Its performance was assessed in various water types, including deionized water, river water, and municipal wastewater. Additionally, the FSZ composite effectively removed other contaminants, achieving high efficiencies for cadmium (95.18 %), lithium (83.42 %), arsenic (88.29 %), sulfamethoxazole (87.38 %), doxycycline (96.15 %), and cefixime (81.97 %). Finally, the mechanisms responsible for the removal of TC and Cr<sup>6+</sup> were evaluated. The sustainable synthesis of FSZ provides a valuable foundation for future studies focused on Cr<sup>6+</sup> and TC removal, offering a potential solution to pressing environmental challenges.</div></div>","PeriodicalId":363,"journal":{"name":"Journal of Industrial and Engineering Chemistry","volume":"145 ","pages":"Pages 577-595"},"PeriodicalIF":5.9,"publicationDate":"2024-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143488914","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}
Pub Date : 2024-10-30DOI: 10.1016/j.jiec.2024.10.044
J.P.S. Oliveira, R.A. Medronho, F.P. Santos, T.S. Klein
The present study aims to provide a state-of-the-art review of the multiphase CFD simulations of hydrocyclones in the scope of the Euler–Euler approach. It has been shown that, as far as turbulence is concerned, most works point to a full-closure RANS approach to account for curvature effects. There are distinct approaches for conducting these simulations, and their suitability strongly depends on the analysis’ goal. Most of the reported Euler–Euler simulations utilize a full two-fluid model or a simplified mixture formulation. The current status of multiphase treatments applied to liquid–liquid hydrocyclones (LLHC) relies on a coupled approach between CFD and a population balance model (PBM), with few attempts so far limited to the mixture model associated with discrete PBE solution methods. Multiphase macro-strategies were identified (individual monodispersed, serial monodispersed, and polydispersed simulations). By analyzing a set of representative studies, a guide for defining a multiphase strategy is proposed according to inlet feed stream properties. Valuable insights on the suitability of commonly adopted multiphase strategies were gained in light of estimating a phase coupling parameter. The polydisperse Euler–Euler model returned broader agreements with empirical efficiencies for intermediary couplings for solid–liquid scenarios. Moreover, liquid–liquid cases showed dependency on including PBM source terms.
{"title":"CFD multiphase modeling of liquid–liquid hydrocyclones: A review","authors":"J.P.S. Oliveira, R.A. Medronho, F.P. Santos, T.S. Klein","doi":"10.1016/j.jiec.2024.10.044","DOIUrl":"10.1016/j.jiec.2024.10.044","url":null,"abstract":"<div><div>The present study aims to provide a state-of-the-art review of the multiphase CFD simulations of hydrocyclones in the scope of the Euler–Euler approach. It has been shown that, as far as turbulence is concerned, most works point to a full-closure RANS approach to account for curvature effects. There are distinct approaches for conducting these simulations, and their suitability strongly depends on the analysis’ goal. Most of the reported Euler–Euler simulations utilize a full two-fluid model or a simplified mixture formulation. The current status of multiphase treatments applied to liquid–liquid hydrocyclones (LLHC) relies on a coupled approach between CFD and a population balance model (PBM), with few attempts so far limited to the mixture model associated with discrete PBE solution methods. Multiphase macro-strategies were identified (individual monodispersed, serial monodispersed, and polydispersed simulations). By analyzing a set of representative studies, a guide for defining a multiphase strategy is proposed according to inlet feed stream properties. Valuable insights on the suitability of commonly adopted multiphase strategies were gained in light of estimating a phase coupling parameter. The polydisperse Euler–Euler model returned broader agreements with empirical efficiencies for intermediary couplings for solid–liquid scenarios. Moreover, liquid–liquid cases showed dependency on including PBM source terms.</div></div>","PeriodicalId":363,"journal":{"name":"Journal of Industrial and Engineering Chemistry","volume":"145 ","pages":"Pages 33-62"},"PeriodicalIF":5.9,"publicationDate":"2024-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143487909","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}
Pub Date : 2024-10-30DOI: 10.1016/j.jiec.2024.10.068
Weiyin Su , Jianxiong Xing , Fanglan Geng , Jianxin Jiang , Kun Wang , Xiaopeng Peng
Considering the high requirements for robust and flexible power supplies, the green and sustainable fiber-based supercapacitor is suitable to accommodate the inevitable serious deformation and low radiation issues in wearable electronic energy storage devices due to its easy integration. Compatible natural nanocellulose (NFC) as a framework and the two-dimensional conductive graphene (GO) nanosheets constructed a dense brick-and-mortar structure, which the dispersing effect of NFC avoided GO aggregation. The utilization of the green-reducing agent and the obtained NFC/reduced graphene oxide (rGO) composite film endowed the composite film with a continuous conductive network by the self-assembly behavior of NFC and GO, that the lightweight flexible electrode NFC/50rGO with 13 μm thickness had high conductivity (883.70 S m−1), a total electromagnetic shielding efficiency of 27.1 dB at 8.2 GHz frequency, electrochemical behavior (mass-specific capacitance up to 170.6F g−1), and reversible charge–discharge behavior. Developing a green and portable small electronic device with such a flexible and high-strength electrode symbolizes the critical development direction in the future electronic equipment field.
{"title":"Renewable Nanocellulose/rGO film with a dense brick-and-mortar structure for electromagnetic interference and energy storage","authors":"Weiyin Su , Jianxiong Xing , Fanglan Geng , Jianxin Jiang , Kun Wang , Xiaopeng Peng","doi":"10.1016/j.jiec.2024.10.068","DOIUrl":"10.1016/j.jiec.2024.10.068","url":null,"abstract":"<div><div>Considering the high requirements for robust and flexible power supplies, the green and sustainable fiber-based supercapacitor is suitable to accommodate the inevitable serious deformation and low radiation issues in wearable electronic energy storage devices due to its easy integration. Compatible natural nanocellulose (NFC) as a framework and the two-dimensional conductive graphene (GO) nanosheets constructed a dense brick-and-mortar structure, which the dispersing effect of NFC avoided GO aggregation. The utilization of the green-reducing agent and the obtained NFC/reduced graphene oxide (rGO) composite film endowed the composite film with a continuous conductive network by the self-assembly behavior of NFC and GO, that the lightweight flexible electrode NFC/50rGO with 13 μm thickness had high conductivity (883.70 S m<sup>−1</sup>), a total electromagnetic shielding efficiency of 27.1 dB at 8.2 GHz frequency, electrochemical behavior (mass-specific capacitance up to 170.6F g<sup>−1</sup>), and reversible charge–discharge behavior. Developing a green and portable small electronic device with such a flexible and high-strength electrode symbolizes the critical development direction in the future electronic equipment field.</div></div>","PeriodicalId":363,"journal":{"name":"Journal of Industrial and Engineering Chemistry","volume":"145 ","pages":"Pages 721-731"},"PeriodicalIF":5.9,"publicationDate":"2024-10-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143488879","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}
Pub Date : 2024-10-29DOI: 10.1016/j.jiec.2024.10.045
Ming Hao , Yunhe Fu , Qiang Hu , Xianhang Lu , Huzhong Zhang , Yaoshuai Ba , Yuanhua Xie , Kun Liu , Detian Li
The lightweight nature and exceptional temperature resistance of titanium (Ti) render it a highly favored material for spacecraft applications. However, Ti is susceptible to various corrosion phenomena, particularly hydrogen embrittlement, which can significantly impact the functionality and lifespan of spacecraft. As experimental methods encounter challenges when investigating the internal mechanism of rapid-onset hydrogen embrittlement, we employ a molecular dynamics approach to explore the adsorption, diffusion, and dissociation behavior of hydrogen atoms and molecules (H/H2) on Ti metal surfaces and oxidation products. The adsorption energies of the four bound forms, H-Ti, H-TiO2, H2-Ti, and H2-TiO2, during adsorption are 7.577 eV (hcp), 0.608 eV (bridge), nearly 0 eV, and 0.1127 eV (bridge), with maximum energy barriers for diffusion/dissociation of 1.045 eV, 2.694 eV, 0.3735 eV, and 2.612 eV, respectively. Thus, Ti metal readily undergoes chemical adsorption with hydrogen atoms while promoting dissociation of molecular hydrogen on its surface. Consequently, hydrogen adsorption onto the Ti metal surface and subsequent entry of hydrogen atoms into its bulk structure are enhanced, ultimately increasing susceptibility to hydrogen embrittlement. However, adsorption is limited once Ti metal oxidizes to form a protective surface layer of TiO2 due to reduced reactivity at the oxide–metal interface.
{"title":"Investigation of the hydrogen adsorption properties on titanium metal under vacuum conditions","authors":"Ming Hao , Yunhe Fu , Qiang Hu , Xianhang Lu , Huzhong Zhang , Yaoshuai Ba , Yuanhua Xie , Kun Liu , Detian Li","doi":"10.1016/j.jiec.2024.10.045","DOIUrl":"10.1016/j.jiec.2024.10.045","url":null,"abstract":"<div><div>The lightweight nature and exceptional temperature resistance of titanium (Ti) render it a highly favored material for spacecraft applications. However, Ti is susceptible to various corrosion phenomena, particularly hydrogen embrittlement, which can significantly impact the functionality and lifespan of spacecraft. As experimental methods encounter challenges when investigating the internal mechanism of rapid-onset hydrogen embrittlement, we employ a molecular dynamics approach to explore the adsorption, diffusion, and dissociation behavior of hydrogen atoms and molecules (H/H<sub>2</sub>) on Ti metal surfaces and oxidation products. The adsorption energies of the four bound forms, H-Ti, H-TiO<sub>2</sub>, H<sub>2</sub>-Ti, and H<sub>2</sub>-TiO<sub>2</sub>, during adsorption are 7.577 eV (hcp), 0.608 eV (bridge), nearly 0 eV, and 0.1127 eV (bridge), with maximum energy barriers for diffusion/dissociation of 1.045 eV, 2.694 eV, 0.3735 eV, and 2.612 eV, respectively. Thus, Ti metal readily undergoes chemical adsorption with hydrogen atoms while promoting dissociation of molecular hydrogen on its surface. Consequently, hydrogen adsorption onto the Ti metal surface and subsequent entry of hydrogen atoms into its bulk structure are enhanced, ultimately increasing susceptibility to hydrogen embrittlement. However, adsorption is limited once Ti metal oxidizes to form a protective surface layer of TiO<sub>2</sub> due to reduced reactivity at the oxide–metal interface.</div></div>","PeriodicalId":363,"journal":{"name":"Journal of Industrial and Engineering Chemistry","volume":"145 ","pages":"Pages 491-505"},"PeriodicalIF":5.9,"publicationDate":"2024-10-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143488342","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}
Pub Date : 2024-10-29DOI: 10.1016/j.jiec.2024.10.064
Falah H. Abd, Ali H. Abbar
Treatment of hospital wastewater was achieved successfully using a novel combined process composed of an anodic oxidation with Cu/SnO2–Sb2O5 rotating cylinder anode and a photocatalysis process with titanium oxide nanoparticles. Cu/SnO2–Sb2O5 anode and TiO2 nanoparticles were characterized by x-ray diffractometer (XRD) and scanning electron microscopy (SEM). The feasibility of the combined process was evaluated using response surface methodology (RSM). Three operating factors were studied namely current density (10–20 mA/cm2), pH (4–8), and TiO2 dosage (0.3–0.7 g/L). Results showed that current density has the major effect on the COD removal with a contribution percent of 40 %. The optimal conditions were current density of 20 mA/cm2, pH of 4, and TiO2 dosage of 0.7 g/L in which COD removal of 91.2 % was achieved with claiming a total electrical energy (EECT) of 39.41 kWh/ m3. An interesting synergistic effect with a synergy of 21.26 % was recognized in the combined process due to the high productivity of hydroxyl radicals resulting from the interaction between the individual processes. Results confirmed that coupling anodic oxidation with photoctalysis is a promising method for treating hospital wastewater.
{"title":"An innovative combination of anodic oxidation using Cu/SnO2–Sb2O5 rotating cylinder anode with TiO2 photocatalytic process for treating hospital wastewater","authors":"Falah H. Abd, Ali H. Abbar","doi":"10.1016/j.jiec.2024.10.064","DOIUrl":"10.1016/j.jiec.2024.10.064","url":null,"abstract":"<div><div>Treatment of hospital wastewater was achieved successfully using a novel combined process composed of an anodic oxidation with Cu/SnO<sub>2</sub>–Sb<sub>2</sub>O<sub>5</sub> rotating cylinder anode and a photocatalysis process with titanium oxide nanoparticles. Cu/SnO<sub>2</sub>–Sb<sub>2</sub>O<sub>5</sub> anode and TiO<sub>2</sub> nanoparticles were characterized by x-ray diffractometer (XRD) and scanning electron microscopy (SEM). The feasibility of the combined process was evaluated using response surface methodology (RSM). Three operating factors were studied namely current density (10–20 mA/cm<sup>2</sup>), pH (4–8), and TiO<sub>2</sub> dosage (0.3–0.7 g/L). Results showed that current density has the major effect on the COD removal with a contribution percent of 40 %. The optimal conditions were current density of 20 mA/cm<sup>2</sup>, pH of 4, and TiO<sub>2</sub> dosage of 0.7 g/L in which COD removal of 91.2 % was achieved with claiming a total electrical energy (EEC<sub>T</sub>) of 39.41 kWh/ m<sup>3</sup>. An interesting synergistic effect with a synergy of 21.26 % was recognized in the combined process due to the high productivity of hydroxyl radicals resulting from the interaction between the individual processes. Results confirmed that coupling anodic oxidation with photoctalysis is a promising method for treating hospital wastewater.</div></div>","PeriodicalId":363,"journal":{"name":"Journal of Industrial and Engineering Chemistry","volume":"145 ","pages":"Pages 668-685"},"PeriodicalIF":5.9,"publicationDate":"2024-10-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143488922","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}
Pub Date : 2024-10-28DOI: 10.1016/j.jiec.2024.10.039
Mahdi Safdari , Mohammad Mahdi Emamjomeh , Abbas Rezaee
The introduction of emerging contaminants (ECs), particularly antibiotics to the water resources has grown in recent years. Due to its widespread application and their toxicity, the ECs are one of the major environmental concerns. The present study is to evaluate the electrochemical removal of ciprofloxacin (CIP) as an emerging contaminant through the advanced reduction process (ARP). Moreover, the degradation pathway, mechanism and its kinetics have provided. In this study, the impacts of main operating variables were evaluated including pH, current density, initial pollutant concentration, sodium sulfite (Na2SO3) concentration, and time on the CIP removal through electrochemical process based-ARP. The obtained results revealed the 94.15 % CIP degradation rate under optimal conditions, at the concentration of 20 mg/L and pH 5 during 60 min. The CIP reduction followed the first-order kinetics with the rate of 0.99. In addition, the ARP along with electrochemical systems as a novel process were suggested as suitable and high efficiency technique for the CIP removal.
{"title":"Ciprofloxacin removal as an emerging contaminant using electrochemical advanced reduction process: Mechanism, degradation pathway and reaction kinetic","authors":"Mahdi Safdari , Mohammad Mahdi Emamjomeh , Abbas Rezaee","doi":"10.1016/j.jiec.2024.10.039","DOIUrl":"10.1016/j.jiec.2024.10.039","url":null,"abstract":"<div><div>The introduction of emerging contaminants (ECs), particularly antibiotics to the water resources has grown in recent years. Due to its widespread application and their toxicity, the ECs are one of the major environmental concerns. The present study is to evaluate the electrochemical removal of ciprofloxacin (CIP) as an emerging contaminant through the advanced reduction process (ARP). Moreover, the degradation pathway, mechanism and its kinetics have provided. In this study, the impacts of main operating variables were evaluated including pH, current density, initial pollutant concentration, sodium sulfite (Na<sub>2</sub>SO<sub>3</sub>) concentration, and time on the CIP removal through electrochemical process based-ARP. The obtained results revealed the 94.15 % CIP degradation rate under optimal conditions, at the concentration of 20 mg/L and pH 5 during 60 min. The CIP reduction followed the first-order kinetics with the rate of 0.99. In addition, the ARP along with electrochemical systems as a novel process were suggested as suitable and high efficiency technique for the CIP removal.</div></div>","PeriodicalId":363,"journal":{"name":"Journal of Industrial and Engineering Chemistry","volume":"145 ","pages":"Pages 441-451"},"PeriodicalIF":5.9,"publicationDate":"2024-10-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143487888","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}
Pub Date : 2024-10-28DOI: 10.1016/j.jiec.2024.10.053
Mabore J. Raseala , Mxolisi M. Motsa , Rudzani A. Sigwadi , Richard M. Moutloali
Abattoir industry is one of the fastest-growing due to the rising demand for meat with concomitant increase is complex wastewater discharge that is difficult to treat. This necessitates for efficient wastewater remedial processes. This study described the impact of incorporating graphene oxide (GO) in zwitterionic-grafted PES polymer for the fabrication of mixed matrix membranes (MMM) less prone-to-fouling. The fabricated MMM exhibited enhanced water flux (144.44 to 504.76 L m−2 h−1 at 300 kPa and 52.38 to 184.129 L m−2 h−1 at the lowest pressure of 100 kPa), hydrophilicity (74.10° to 33.66°), solute rejection (93.33 to 99.6 %), and fouling resistance (82 % at the sixth cycle). Furthermore, it was observed that at all ratios GO and grafted zwitterion used, the membranes’ morphological analysis indicated exceptional compatibility. These membranes were assessed for abattoir wastewater treatment, using up to six filtration cycles were the membranes showed good flux recovery (<80 %). The quality of the water was followed using pH, turbidity, TDS, TOC, and conductivity. Herein it was found that the zwitterionic MMM had relatively higher antifouling and rejection properties. Finally, the surface fouling was followed using SEM analysis. These membranes potentially offer longer lifespan and produce high-quality effluent, both which are a critical financial consideration.
{"title":"Incorporation of graphene oxide into zwitterion containing polyethersulfone membranes to minimize fouling during the remediation of abattoir wastewater","authors":"Mabore J. Raseala , Mxolisi M. Motsa , Rudzani A. Sigwadi , Richard M. Moutloali","doi":"10.1016/j.jiec.2024.10.053","DOIUrl":"10.1016/j.jiec.2024.10.053","url":null,"abstract":"<div><div>Abattoir industry is one of the fastest-growing due to the rising demand for meat with concomitant increase is complex wastewater discharge that is difficult to treat. This necessitates for efficient wastewater remedial processes. This study described the impact of incorporating graphene oxide (GO) in zwitterionic-grafted PES polymer for the fabrication of mixed matrix membranes (MMM) less prone-to-fouling. The fabricated MMM exhibited enhanced water flux (144.44 to 504.76 L m<sup>−2</sup> h<sup>−1</sup> at 300 kPa and 52.38 to 184.129 L m<sup>−2</sup> h<sup>−1</sup> at the lowest pressure of 100 kPa), hydrophilicity (74.10° to 33.66°), solute rejection (93.33 to 99.6 %), and fouling resistance (82 % at the sixth cycle). Furthermore, it was observed that at all ratios GO and grafted zwitterion used, the membranes’ morphological analysis indicated exceptional compatibility. These membranes were assessed for abattoir wastewater treatment, using up to six filtration cycles were the membranes showed good flux recovery (<80 %). The quality of the water was followed using pH, turbidity, TDS, TOC, and conductivity. Herein it was found that the zwitterionic MMM had relatively higher antifouling and rejection properties. Finally, the surface fouling was followed using SEM analysis. These membranes potentially offer longer lifespan and produce high-quality effluent, both which are a critical financial consideration.</div></div>","PeriodicalId":363,"journal":{"name":"Journal of Industrial and Engineering Chemistry","volume":"145 ","pages":"Pages 596-609"},"PeriodicalIF":5.9,"publicationDate":"2024-10-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143488915","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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