Mo doping optimizes the electronic structure of ReS2. MoxRe(1–x)S2/MoS2 alloy heterojunction exhibits more favorable application prospects in photodetection due to its higher electrical conductivity than ReS2/MoS2 heterojunction. However, alloy heterojunctions are difficult to prepare controllably using conventional vapor-phase chemical vapor deposition (CVD), and the heterojunction growth mechanism remains unclear. Here, a vapor–liquid–solid temperature-gradient process is proposed to grow alloy heterojunctions within predeposited molten Mo precursor droplets. The sulfuration reaction between Re diffusing into the droplet and Mo atoms facilitates the formation of alloy structures. The growth temperatures TRe and TMo in the temperature-gradient significantly affect the growth patterns and morphology evolution of the heterojunction. The MoS2 morphology in vertical alloy heterojunctions becomes triangular as the growth temperature increases. The dimension of the top MoxRe(1–x)S2 alloy is positively correlated with the Re diffusion concentration. Moreover, lateral alloy heterojunctions and single alloys are formed at lower and higher growth temperature differences between TRe and TMo, respectively. These results provide a controllable strategy for the synthesis of isotropic/anisotropic van der Waals TMDC heterojunctions.
{"title":"Investigation of 1T′ MoxRe(1–x)S2/2H MoS2 Heterojunction Morphology Evolution through Vapor–Liquid–Solid Growth Mechanism by Temperature-Gradient CVD","authors":"Tong Cheng, Qi-Bo Wang, Qin-Qin Xu, Zhen-Hua Han, Jian-Zhong Yin","doi":"10.1021/acs.iecr.5c00302","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c00302","url":null,"abstract":"Mo doping optimizes the electronic structure of ReS<sub>2</sub>. Mo<sub><i>x</i></sub>Re<sub>(1–<i>x</i>)</sub>S<sub>2</sub>/MoS<sub>2</sub> alloy heterojunction exhibits more favorable application prospects in photodetection due to its higher electrical conductivity than ReS<sub>2</sub>/MoS<sub>2</sub> heterojunction. However, alloy heterojunctions are difficult to prepare controllably using conventional vapor-phase chemical vapor deposition (CVD), and the heterojunction growth mechanism remains unclear. Here, a vapor–liquid–solid temperature-gradient process is proposed to grow alloy heterojunctions within predeposited molten Mo precursor droplets. The sulfuration reaction between Re diffusing into the droplet and Mo atoms facilitates the formation of alloy structures. The growth temperatures <i>T</i><sub>Re</sub> and <i>T</i><sub>Mo</sub> in the temperature-gradient significantly affect the growth patterns and morphology evolution of the heterojunction. The MoS<sub>2</sub> morphology in vertical alloy heterojunctions becomes triangular as the growth temperature increases. The dimension of the top Mo<sub><i>x</i></sub>Re<sub>(1–<i>x</i>)</sub>S<sub>2</sub> alloy is positively correlated with the Re diffusion concentration. Moreover, lateral alloy heterojunctions and single alloys are formed at lower and higher growth temperature differences between <i>T</i><sub>Re</sub> and <i>T</i><sub>Mo</sub>, respectively. These results provide a controllable strategy for the synthesis of isotropic/anisotropic van der Waals TMDC heterojunctions.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"64 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143798515","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 : 2025-04-08DOI: 10.1021/acs.iecr.5c00489
Xinyi Liu, Zhaoyuan He, Ziyi Huang, Chunrong Tian, Xiaowen Zhao, Lin Ye
In order to protect electronic components from high-temperature impact and also dissipate accumulated heat during use, thermoplastic polyurethane (TPU)-based unidirectional thermal conductive foam with a gradient structure was assembled layer by layer and subsequent scCO2 foaming. Polydopamine (PDA) coating layer was first introduced to the surfaces of boron nitride (BN) with carbon nanotubes (CNTs) as bridging (PBC) through π–π stacking and hydrogen bonding interaction, leading to a high intercalation ratio of TPU molecules between BN layers. The in-plane thermal conductivity (TC) of TPU/60wt%PBC sample reached as high as 4.68 W·m–1·K–1 due to horizontal alignment of uniformly dispersed BN sheets, and excellent flexibility and foldability were also exhibited. Besides, PBC particles were selectively distributed in hard domain (HD), while with increasing TPU hardness and HD region ratio, the effective concentration of PBC in HD decreased, resulting in a drop of TC. Moreover, with increasing PBC content in each layer of TPU/PBC assembled foam, due to decreasing cell size, increasing apparent density, and formation of interconnected 3D thermal conductive network, the in-plane TC of each layer increased gradually and even reached 2.39 W·m–1·K–1 for TPU/40wt%PBC foam layer, resulting in a gradient distribution of cell structure and thermal conductivity. The assembled foam exhibited a tightly integrated structure with blurred interfaces between each layer, and unidirectional thermal conductivity was confirmed by infrared thermography.
{"title":"Construction of Thermoplastic Polyurethane-Based Unidirectional Thermal Conductive Foam with a Gradient Structure","authors":"Xinyi Liu, Zhaoyuan He, Ziyi Huang, Chunrong Tian, Xiaowen Zhao, Lin Ye","doi":"10.1021/acs.iecr.5c00489","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c00489","url":null,"abstract":"In order to protect electronic components from high-temperature impact and also dissipate accumulated heat during use, thermoplastic polyurethane (TPU)-based unidirectional thermal conductive foam with a gradient structure was assembled layer by layer and subsequent scCO<sub>2</sub> foaming. Polydopamine (PDA) coating layer was first introduced to the surfaces of boron nitride (BN) with carbon nanotubes (CNTs) as bridging (PBC) through π–π stacking and hydrogen bonding interaction, leading to a high intercalation ratio of TPU molecules between BN layers. The in-plane thermal conductivity (TC) of TPU/60wt%PBC sample reached as high as 4.68 W·m<sup>–1</sup>·K<sup>–1</sup> due to horizontal alignment of uniformly dispersed BN sheets, and excellent flexibility and foldability were also exhibited. Besides, PBC particles were selectively distributed in hard domain (HD), while with increasing TPU hardness and HD region ratio, the effective concentration of PBC in HD decreased, resulting in a drop of TC. Moreover, with increasing PBC content in each layer of TPU/PBC assembled foam, due to decreasing cell size, increasing apparent density, and formation of interconnected 3D thermal conductive network, the in-plane TC of each layer increased gradually and even reached 2.39 W·m<sup>–1</sup>·K<sup>–1</sup> for TPU/40wt%PBC foam layer, resulting in a gradient distribution of cell structure and thermal conductivity. The assembled foam exhibited a tightly integrated structure with blurred interfaces between each layer, and unidirectional thermal conductivity was confirmed by infrared thermography.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"31 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143798516","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 : 2025-04-08DOI: 10.1021/acs.iecr.5c00624
Chengyin Lin, Yongyuan Deng, Yuankai Lin, Jun Li, Junling Tu, Riyang Shu
Hydrodeoxygenation (HDO) represents a highly efficient refining pathway to convert lignin-derived phenolic compounds for the production of hydrocarbon fuels, and the selection of a suitable catalyst is pivotal for a high reaction efficiency. In this study, we introduce a novel highly dispersed Pt/Al2O3–TiO2 composite catalyst that is prepared via a photochemical reduction method and employ it for the HDO of lignin-derived phenolic compounds. The catalyst demonstrates a good HDO performance, achieving complete conversion of guaiacol at 260 °C with cyclohexane selectivity of 99.9%. Catalyst characterization results reveal that the Pt/Al2O3–TiO2 catalyst exhibits a high Pt metal dispersion. Besides, the composite support synergistically combines the properties of Al2O3 and TiO2 components, resulting in a high specific surface area, moderate acidity, and abundant oxygen vacancy. These factors facilitate the provision of numerous active metal sites and acid sites those are essential for the HDO reaction. Moreover, the Pt/Al2O3–TiO2 catalyst also shows a high activity on the HDO of various other phenolic compounds. When applied to the upgrading of lignin oil, the catalyst significantly increases the hydrocarbon content from 18.9% to 92.2%, concurrently reducing the oxygen content and substantially increasing the hydrogen content of the lignin oil. The calorific value is significantly enhanced, underscoring the potential of the Pt/Al2O3–TiO2 composite catalyst to upgrade lignin-derived phenolic compounds into high-quality hydrocarbon liquid fuels.
{"title":"Hydrodeoxygenation of Lignin-Derived Phenolic Compounds over Highly Dispersed Pt/Al2O3–TiO2 Composite Catalyst","authors":"Chengyin Lin, Yongyuan Deng, Yuankai Lin, Jun Li, Junling Tu, Riyang Shu","doi":"10.1021/acs.iecr.5c00624","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c00624","url":null,"abstract":"Hydrodeoxygenation (HDO) represents a highly efficient refining pathway to convert lignin-derived phenolic compounds for the production of hydrocarbon fuels, and the selection of a suitable catalyst is pivotal for a high reaction efficiency. In this study, we introduce a novel highly dispersed Pt/Al<sub>2</sub>O<sub>3</sub>–TiO<sub>2</sub> composite catalyst that is prepared via a photochemical reduction method and employ it for the HDO of lignin-derived phenolic compounds. The catalyst demonstrates a good HDO performance, achieving complete conversion of guaiacol at 260 °C with cyclohexane selectivity of 99.9%. Catalyst characterization results reveal that the Pt/Al<sub>2</sub>O<sub>3</sub>–TiO<sub>2</sub> catalyst exhibits a high Pt metal dispersion. Besides, the composite support synergistically combines the properties of Al<sub>2</sub>O<sub>3</sub> and TiO<sub>2</sub> components, resulting in a high specific surface area, moderate acidity, and abundant oxygen vacancy. These factors facilitate the provision of numerous active metal sites and acid sites those are essential for the HDO reaction. Moreover, the Pt/Al<sub>2</sub>O<sub>3</sub>–TiO<sub>2</sub> catalyst also shows a high activity on the HDO of various other phenolic compounds. When applied to the upgrading of lignin oil, the catalyst significantly increases the hydrocarbon content from 18.9% to 92.2%, concurrently reducing the oxygen content and substantially increasing the hydrogen content of the lignin oil. The calorific value is significantly enhanced, underscoring the potential of the Pt/Al<sub>2</sub>O<sub>3</sub>–TiO<sub>2</sub> composite catalyst to upgrade lignin-derived phenolic compounds into high-quality hydrocarbon liquid fuels.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"56 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143798518","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}
Continuous reactors serve as a core component in commercial hydrothermal liquefaction systems, enabling high-capacity biocrude production from sludge. To optimize the reactor configuration and operation conditions, HTL kinetics of sludge were coupled with computational fluid dynamics and finite element methods. The proposed model was used to explore the distributions of biocrude yield, temperature, and stress. With a total length of 0.5 m, the upward-flow serpentine reactor, 325 °C, an inner diameter of 20 mm, and an inlet velocity of 0.0009 m·s–1 provided the highest biocrude yield of 34.39 wt %. Stress concentrations at the bends were observed in the serpentine reactor. Increasing the bending diameter from 14 to 24 mm reduced the maximum equivalent stress from 136.22 to 113.86 MPa, allowing the application of inexpensive stainless steel as the reactor material. The coupled model also provides insights into optimizing the length of a pilot-scale reactor.
{"title":"Numerical Simulation of Hydrothermal Liquefaction of Sludge in Continuous Reactors: Integration of Kinetics, Fluid Dynamics, and Stress Analyses","authors":"Lili Qian, Chenzheng Ma, Wei Huang, Hao Chen, Shuang Wang, Heng Gu","doi":"10.1021/acs.iecr.4c03708","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c03708","url":null,"abstract":"Continuous reactors serve as a core component in commercial hydrothermal liquefaction systems, enabling high-capacity biocrude production from sludge. To optimize the reactor configuration and operation conditions, HTL kinetics of sludge were coupled with computational fluid dynamics and finite element methods. The proposed model was used to explore the distributions of biocrude yield, temperature, and stress. With a total length of 0.5 m, the upward-flow serpentine reactor, 325 °C, an inner diameter of 20 mm, and an inlet velocity of 0.0009 m·s<sup>–1</sup> provided the highest biocrude yield of 34.39 wt %. Stress concentrations at the bends were observed in the serpentine reactor. Increasing the bending diameter from 14 to 24 mm reduced the maximum equivalent stress from 136.22 to 113.86 MPa, allowing the application of inexpensive stainless steel as the reactor material. The coupled model also provides insights into optimizing the length of a pilot-scale reactor.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"242 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143798511","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}
CuO-ZnO-TiO2 was prepared by ultrasound-assisted coprecipitation. Its catalytic performance in the liquid-phase oxidation of cumene with oxygen to cumene hydroperoxide (CHP) was studied. Under the reaction conditions of CuO:ZnO:TiO2 molar ratio of 3:1:1.33, feed ratio (catalyst/cumene) of 7.5 mg/mL, reaction temperature of 85 °C, reaction time of 7 h, and oxygen flow rate of 15 mL/min, the conversion of cumene was 37.2% and the selectivity of CHP was 94.5%. Characterization by XRD, SEM, TEM, EDS, and N2 adsorption/desorption showed 3CuO-ZnO-TiO2 was concentrated with a particle size of about 50 nm, specific area of about 110 m2/g with a pore volume of 0.0048 cm3/g, and high dispersion of active components. XPS and O2-TPD characterization indicated that 3CuO-ZnO-TiO2 contains a large amount of lattice oxygen and reactive oxygen species. DFT simulation indicated ROO· is more easily generated and more likely to bind to the CuO-ZnO surface to facilitate oxidation of cumene to cumene peroxides.
{"title":"Application, Characterization, and Simulation of CuO-ZnO-TiO2 for Catalytic Oxidation of Cumene to Cumene Hydroperoxide","authors":"Yicheng Zhang, Siyu Wu, Yuetong Ma, Fei Zha, Xiaohua Tang, Yue Chang, Haifeng Tian, Xiaojun Guo","doi":"10.1021/acs.iecr.4c04387","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c04387","url":null,"abstract":"CuO-ZnO-TiO<sub>2</sub> was prepared by ultrasound-assisted coprecipitation. Its catalytic performance in the liquid-phase oxidation of cumene with oxygen to cumene hydroperoxide (CHP) was studied. Under the reaction conditions of CuO:ZnO:TiO<sub>2</sub> molar ratio of 3:1:1.33, feed ratio (catalyst/cumene) of 7.5 mg/mL, reaction temperature of 85 °C, reaction time of 7 h, and oxygen flow rate of 15 mL/min, the conversion of cumene was 37.2% and the selectivity of CHP was 94.5%. Characterization by XRD, SEM, TEM, EDS, and N<sub>2</sub> adsorption/desorption showed 3CuO-ZnO-TiO<sub>2</sub> was concentrated with a particle size of about 50 nm, specific area of about 110 m<sup>2</sup>/g with a pore volume of 0.0048 cm<sup>3</sup>/g, and high dispersion of active components. XPS and O<sub>2</sub>-TPD characterization indicated that 3CuO-ZnO-TiO<sub>2</sub> contains a large amount of lattice oxygen and reactive oxygen species. DFT simulation indicated ROO· is more easily generated and more likely to bind to the CuO-ZnO surface to facilitate oxidation of cumene to cumene peroxides.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"16 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143798513","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}
Escalating infiltration of pharmaceutical pollutants into aquatic systems, particularly in freshwater and marine environments, has shot an arrow of menace at flora and fauna. In response, our study emphasizes efficient photocatalytic degradation of ciprofloxacin (CIP) using hydrothermally synthesized activated carbon nanodots (ACNDs)-decorated Ti-doped WO3 nanodices in both freshwater (FW) and simulated seawater (SSW) environments. XRD and Raman confirm the formation of a monoclinic phase, whereas SEM reveals the distinctive nanodice morphology of WO3. Under 1 Sun illumination, Ti-WO3 ACNDs exhibited an exceptional degradation of CIP (93.83%) within 60 min, outperforming Ti-WO3 and WO3 samples. Intriguingly, under the SSW environment, Ti-WO3 ACNDs manifested a degradation percentage of 85.10 and 59.61% at 5 and 10 ppm concentrations of CIP, respectively. Furthermore, the incorporation of ACNDs profoundly augments the donor density up to 27.27 folds in comparison to that of the Ti-doped WO3. LC-MS chromatograms convincingly depict the successful defragmentation of CIP, indicating its transformation into less harmful products. Comprehensibly, our work highlights the pivotal role of ACNDs as “electron sinks” and offers mechanistic insights into accelerated CIP degradation in both freshwater and simulated seawater conditions spearheaded through a trident attack mechanism initiated by •OH radicals.
{"title":"Photofragmentation of Ciprofloxacin: An Orchestrated Trident Attack Employing Activated Carbon Nanodot-Decorated Ti-Doped WO3 Nanodices","authors":"Suprakash Rabha, Suvankar Deka, Biswajit Choudhury, Arundhuti Devi","doi":"10.1021/acs.iecr.5c00209","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c00209","url":null,"abstract":"Escalating infiltration of pharmaceutical pollutants into aquatic systems, particularly in freshwater and marine environments, has shot an arrow of menace at flora and fauna. In response, our study emphasizes efficient photocatalytic degradation of ciprofloxacin (CIP) using hydrothermally synthesized activated carbon nanodots (ACNDs)-decorated Ti-doped WO<sub>3</sub> nanodices in both freshwater (FW) and simulated seawater (SSW) environments. XRD and Raman confirm the formation of a monoclinic phase, whereas SEM reveals the distinctive nanodice morphology of WO<sub>3</sub>. Under 1 Sun illumination, Ti-WO<sub>3</sub> ACNDs exhibited an exceptional degradation of CIP (93.83%) within 60 min, outperforming Ti-WO<sub>3</sub> and WO<sub>3</sub> samples. Intriguingly, under the SSW environment, Ti-WO<sub>3</sub> ACNDs manifested a degradation percentage of 85.10 and 59.61% at 5 and 10 ppm concentrations of CIP, respectively. Furthermore, the incorporation of ACNDs profoundly augments the donor density up to 27.27 folds in comparison to that of the Ti-doped WO<sub>3</sub>. LC-MS chromatograms convincingly depict the successful defragmentation of CIP, indicating its transformation into less harmful products. Comprehensibly, our work highlights the pivotal role of ACNDs as “electron sinks” and offers mechanistic insights into accelerated CIP degradation in both freshwater and simulated seawater conditions spearheaded through a trident attack mechanism initiated by <sup>•</sup>OH radicals.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"92 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143798514","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}
Membrane-based CO2 separation technology is highly desired for natural gas sweetening, and the development of advanced membrane materials with low cost and high CO2/CH4 separation factors under high pressures is the key to the membrane market. Herein, cellulose-derived carbon molecular sieve (CMS) hollow fiber membranes within macropores were constructed by incorporating a thermal labile polymer of poly(vinyl butyral) (PVB). During a controlled carbonization protocol, the spun cellulose membranes formed the CMS membrane matrix, while the PVB formed homogenized macropores. As a result, the generated macropores in the CMS hollow fiber membranes (CHFMs) effectively reduced the gas transport resistance, confirmed by an increased CO2 permeance by ∼2.9-fold from 8.48 to 24.72 GPU (CHFM-1) compared to CHFM-0. Moreover, the membranes were evaluated using a simulated high-pressure natural gas stream (3.44 mol % CO2–87.0 mol % CH4–9.56 mol % N2) and showed good separation performance with a CO2 permeance of 11.66 GPU and a CO2/CH4 separation factor of 38.3 at 30 bar feeding. A long-term durability test over 100 h at 20 bar with a slight decrease in permeance further verified its potential for CO2 removal from high-pressure natural gas.
{"title":"Construction of Macropores in a Hollow Fiber Carbon Membrane Enables Efficient CO2 Removal from Natural Gas","authors":"Zhi Li, Xingyu Chen, Guanran Zhao, Yaohao Guo, Wei Zhao, Linfeng Lei, Zhi Xu","doi":"10.1021/acs.iecr.5c00493","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c00493","url":null,"abstract":"Membrane-based CO<sub>2</sub> separation technology is highly desired for natural gas sweetening, and the development of advanced membrane materials with low cost and high CO<sub>2</sub>/CH<sub>4</sub> separation factors under high pressures is the key to the membrane market. Herein, cellulose-derived carbon molecular sieve (CMS) hollow fiber membranes within macropores were constructed by incorporating a thermal labile polymer of poly(vinyl butyral) (PVB). During a controlled carbonization protocol, the spun cellulose membranes formed the CMS membrane matrix, while the PVB formed homogenized macropores. As a result, the generated macropores in the CMS hollow fiber membranes (CHFMs) effectively reduced the gas transport resistance, confirmed by an increased CO<sub>2</sub> permeance by ∼2.9-fold from 8.48 to 24.72 GPU (CHFM-1) compared to CHFM-0. Moreover, the membranes were evaluated using a simulated high-pressure natural gas stream (3.44 mol % CO<sub>2</sub>–87.0 mol % CH<sub>4</sub>–9.56 mol % N<sub>2</sub>) and showed good separation performance with a CO<sub>2</sub> permeance of 11.66 GPU and a CO<sub>2</sub>/CH<sub>4</sub> separation factor of 38.3 at 30 bar feeding. A long-term durability test over 100 h at 20 bar with a slight decrease in permeance further verified its potential for CO<sub>2</sub> removal from high-pressure natural gas.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"24 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143798517","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 : 2025-04-08DOI: 10.1021/acs.iecr.5c00276
Di Zhang, Lizhi Liu, Caixia Li, Yiliang Zhang, Huiyong Wang, Juan Du, Baozhan Zheng, Yong Guo
Electrochemical O2 reduction through a two-electron process (2e– ORR) to produce H2O2on-site has attracted more attention, but how to make full use of the anodic reaction and investigate its synergistic effect on the 2e–ORR remains to be further studied. Herein, a coupled electrochemical system was constructed in an H-type cell using TiO2 nanotubes with oxygen vacancy (Ov-TiO2) and P-doped porous carbon (P-MC) as the anode and cathode, respectively, on which the degradation of tetracycline (TC) and on-site H2O2 production occurred simultaneously. The results show that Ov-TiO2 exhibits excellent photoelectrocatalytic (PEC) activity for TC degradationin an electrolyte containing chloride ions (Cl–), and more than 95% of TC can be efficiently degraded within 8 min. Interestingly, an enhanced 2e– ORR performance is achieved on the cathode with a higher H2O2 yield of 5.23 mol h–1 gcat–1 (Faraday efficiency of >90%), which is 5.13 times higher than that using TiO2 as the anode (1.02 mol h–1 gcat–1), indicating that Ov and illumination on TiO2 can not only promote the degradation of TC but also accelerate the 2e– ORR on the cathode. The mechanism of this coupled system was also investigated. Based on these findings, the anodic cell has been successfully used for the efficient treatment of other wastes (dye and antibiotics) and as an effective bactericide. In a word, this work opens an avenue to develop highly efficient electrochemical system both for organic pollutant treatment on the anode and on-site H2O2 production on the cathode.
{"title":"Efficient Photoelectrocatalytic Degradation of Tetracycline on the Ov-TiO2 Anode Coupled with Cathodic Oxygen Reduction to Produce H2O2","authors":"Di Zhang, Lizhi Liu, Caixia Li, Yiliang Zhang, Huiyong Wang, Juan Du, Baozhan Zheng, Yong Guo","doi":"10.1021/acs.iecr.5c00276","DOIUrl":"https://doi.org/10.1021/acs.iecr.5c00276","url":null,"abstract":"Electrochemical O<sub>2</sub> reduction through a two-electron process (2e<sup>–</sup> ORR) to produce H<sub>2</sub>O<sub>2</sub> <i>on-site</i> has attracted more attention, but how to make full use of the anodic reaction and investigate its synergistic effect on the 2e<sup>–</sup>ORR remains to be further studied. Herein, a coupled electrochemical system was constructed in an H-type cell using TiO<sub>2</sub> nanotubes with oxygen vacancy (Ov-TiO<sub>2</sub>) and P-doped porous carbon (P-MC) as the anode and cathode, respectively, on which the degradation of tetracycline (TC) and <i>on-site</i> H<sub>2</sub>O<sub>2</sub> production occurred simultaneously. The results show that Ov-TiO<sub>2</sub> exhibits excellent photoelectrocatalytic (PEC) activity for TC degradationin an electrolyte containing chloride ions (Cl<sup>–</sup>), and more than 95% of TC can be efficiently degraded within 8 min. Interestingly, an enhanced 2e<sup>–</sup> ORR performance is achieved on the cathode with a higher H<sub>2</sub>O<sub>2</sub> yield of 5.23 mol h<sup>–1</sup> g<sub>cat</sub><sup>–1</sup> (Faraday efficiency of >90%), which is 5.13 times higher than that using TiO<sub>2</sub> as the anode (1.02 mol h<sup>–1</sup> g<sub>cat</sub><sup>–1</sup>), indicating that Ov and illumination on TiO<sub>2</sub> can not only promote the degradation of TC but also accelerate the 2e<sup>–</sup> ORR on the cathode. The mechanism of this coupled system was also investigated. Based on these findings, the anodic cell has been successfully used for the efficient treatment of other wastes (dye and antibiotics) and as an effective bactericide. In a word, this work opens an avenue to develop highly efficient electrochemical system both for organic pollutant treatment on the anode and <i>on-site</i> H<sub>2</sub>O<sub>2</sub> production on the cathode.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"39 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-04-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143798512","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}
Real-world problems often involve constraints that must be carefully managed for feasible and efficient operations. In optimization, this becomes especially challenging with complex, high-dimensional problems that are computationally expensive and subject to hundreds or even thousands of constraints. We address these challenges by optimizing the highly constrained waterflooding process using a surrogate model of the reservoir and a classification-based constraint handling technique. Our study uses benchmark reservoir simulations, beginning with the low-dimensional Egg model and extending to the high-dimensional UNISIM model. We employ a Feedforward Neural Network (FFNN) surrogate for objective quantification and use classification-based modeling to transform the numerous constraints into a binary problem, distinguishing between feasible and infeasible reservoir settings. Our methodology involves an offline phase to develop and train models using reservoir simulation data, achieving high predictive accuracy (R2 > 0.98) with 20,000 bottom-hole pressure (BHP) settings and net present value (NPV) outputs. The classifier algorithms are then trained to model the constraints, ensuring that the solutions identified during optimization are feasible. In the online phase, we employ different model-based and search-based optimizers to find the optimal BHP settings that maximize the NPV throughout the production horizon. By integrating a highly accurate surrogate model and classification-based constraint handling, our approach significantly reduces the computational burden while ensuring that the solutions remain feasible, optimized for maximum economic gain, and yield better results compared to the deterministic approach.
{"title":"Surrogate-Assisted Optimization of Highly Constrained Oil Recovery Processes Using Classification-Based Constraint Modeling","authors":"Zahir Aghayev, Dimitrios Voulanas, Eduardo Gildin, Burcu Beykal","doi":"10.1021/acs.iecr.4c03294","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c03294","url":null,"abstract":"Real-world problems often involve constraints that must be carefully managed for feasible and efficient operations. In optimization, this becomes especially challenging with complex, high-dimensional problems that are computationally expensive and subject to hundreds or even thousands of constraints. We address these challenges by optimizing the highly constrained waterflooding process using a surrogate model of the reservoir and a classification-based constraint handling technique. Our study uses benchmark reservoir simulations, beginning with the low-dimensional Egg model and extending to the high-dimensional UNISIM model. We employ a Feedforward Neural Network (FFNN) surrogate for objective quantification and use classification-based modeling to transform the numerous constraints into a binary problem, distinguishing between feasible and infeasible reservoir settings. Our methodology involves an offline phase to develop and train models using reservoir simulation data, achieving high predictive accuracy (<i>R</i><sup>2</sup> > 0.98) with 20,000 bottom-hole pressure (BHP) settings and net present value (NPV) outputs. The classifier algorithms are then trained to model the constraints, ensuring that the solutions identified during optimization are feasible. In the online phase, we employ different model-based and search-based optimizers to find the optimal BHP settings that maximize the NPV throughout the production horizon. By integrating a highly accurate surrogate model and classification-based constraint handling, our approach significantly reduces the computational burden while ensuring that the solutions remain feasible, optimized for maximum economic gain, and yield better results compared to the deterministic approach.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"38 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-04-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143798519","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 : 2025-04-07DOI: 10.1021/acs.iecr.4c04978
Idrees Khan, Hong Zheng, Muhammad Rizwan Tariq, Yihao Fan, Mudasir Ahmad, Baoliang Zhang
The enhancement of photocatalytic efficiency of photocatalysts for effectively decontaminating hazardous organic pollutants is a hot research area. Here, BiPO4 nanoparticles were coupled with Mo2TiC2 at various ratios to synthesize the Mo2TiC2/BiPO4 heterojunction, and their light absorbance and reduction of charge recombination were further enhanced by anchoring iron phthalocyanine (FePc) onto their surface. The Mo2TiC2/BiPO4(1:10)FePc nanocomposite outperformed due to the facile fabrication of the heterojunction at the interface and the uniform distribution and intercalation of BiPO4 over and between the Mo2TiC2 sheets. The Mo2TiC2/BiPO4(1:10)FePc nanocomposite degraded 94.71% of DMMP and 99.68% of MB dye within 2 h, with excellent recyclability and photostability. The density functional theory simulations evince that the Mo2TiC2/BiPO4/FePc composite chemisorbed the DMMP and MB which give roots for the efficient degradation of these pollutants over the composite materials. This work reveals the promising potential of the Mo2TiC2/BiPO4/FePc nanocomposite for environmental pollutant remediation.
{"title":"Synergistic Anchoring of Iron Phthalocyanine over Mo2TiC2/BiPO4 Heterostructures for Enhanced Photodegradation of Nerve Agent Simulant and Toxic Dye with DFT-Guided Mechanistic Insights","authors":"Idrees Khan, Hong Zheng, Muhammad Rizwan Tariq, Yihao Fan, Mudasir Ahmad, Baoliang Zhang","doi":"10.1021/acs.iecr.4c04978","DOIUrl":"https://doi.org/10.1021/acs.iecr.4c04978","url":null,"abstract":"The enhancement of photocatalytic efficiency of photocatalysts for effectively decontaminating hazardous organic pollutants is a hot research area. Here, BiPO<sub>4</sub> nanoparticles were coupled with Mo<sub>2</sub>TiC<sub>2</sub> at various ratios to synthesize the Mo<sub>2</sub>TiC<sub>2</sub>/BiPO<sub>4</sub> heterojunction, and their light absorbance and reduction of charge recombination were further enhanced by anchoring iron phthalocyanine (FePc) onto their surface. The Mo<sub>2</sub>TiC<sub>2</sub>/BiPO<sub>4</sub>(1:10)FePc nanocomposite outperformed due to the facile fabrication of the heterojunction at the interface and the uniform distribution and intercalation of BiPO<sub>4</sub> over and between the Mo<sub>2</sub>TiC<sub>2</sub> sheets. The Mo<sub>2</sub>TiC<sub>2</sub>/BiPO<sub>4</sub>(1:10)FePc nanocomposite degraded 94.71% of DMMP and 99.68% of MB dye within 2 h, with excellent recyclability and photostability. The density functional theory simulations evince that the Mo<sub>2</sub>TiC<sub>2</sub>/BiPO<sub>4</sub>/FePc composite chemisorbed the DMMP and MB which give roots for the efficient degradation of these pollutants over the composite materials. This work reveals the promising potential of the Mo<sub>2</sub>TiC<sub>2</sub>/BiPO<sub>4</sub>/FePc nanocomposite for environmental pollutant remediation.","PeriodicalId":39,"journal":{"name":"Industrial & Engineering Chemistry Research","volume":"16 1","pages":""},"PeriodicalIF":4.2,"publicationDate":"2025-04-07","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143798520","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}
京公网安备 11010802042870号
京ICP备2023020795号-1
扫码关注我们
求助内容：
应助结果提醒方式：