Reviews in Chemical Engineering最新文献

DFT and hybrid classical–quantum machine learning integration for photocatalyst discovery and hydrogen production 用于光催化剂发现和制氢的DFT和混合经典量子机器学习集成

IF 4.7 3区工程技术

Reviews in Chemical Engineering Pub Date : 2025-09-27 DOI: 10.1515/revce-2025-0022

Dennis Delali Kwesi Wayo, Leonardo Goliatt, Masoud Darvish Ganji

{"title":"DFT and hybrid classical–quantum machine learning integration for photocatalyst discovery and hydrogen production","authors":"Dennis Delali Kwesi Wayo, Leonardo Goliatt, Masoud Darvish Ganji","doi":"10.1515/revce-2025-0022","DOIUrl":"https://doi.org/10.1515/revce-2025-0022","url":null,"abstract":"Photocatalytic hydrogen production is a key pathway toward sustainable energy, driven by semiconductors that utilize sunlight for water splitting. This review highlights recent advances in material design, theoretical modeling, and data-driven discovery. Focus is given to visible-light-active semiconductors with optimal band gaps (1.8–2.4 eV), such as BiVO4, g-C3N4, and CdS, which enable efficient redox reactions. Hybrid architectures, including Pt-loaded TiO2 and CdS/ZnS core–shell systems, demonstrate hydrogen evolution rates exceeding 105 mol m−2 s−1. Upconversion nanomaterials based on rare-earth-doped fluorides extend light harvesting into the NIR, enhancing quantum yields when combined with quantum dots. Engineered heterojunctions and carbon-based 2D interfaces improve charge separation and suppress recombination. Thermodynamic parameters such as low overpotentials (<0.3 V) and high absorption coefficients (>105 cm−1) correlate with high catalytic efficiency. Time-dependent simulations and density functional theory (DFT) offer insights into structure–property relationships. Additionally, machine learning models expedite discovery by navigating complex compositional and structural spaces. While integrating theoretical, experimental, and AI-driven approaches, this review presents a framework for the rational design of scalable photocatalysts that meet future energy demands.","PeriodicalId":54485,"journal":{"name":"Reviews in Chemical Engineering","volume":"10 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2025-09-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145181136","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

State-of-the-art and recent progress in the synthesis of polyurethanes 聚氨酯合成的最新进展

IF 4.7 3区工程技术

Reviews in Chemical Engineering Pub Date : 2025-08-04 DOI: 10.1515/revce-2025-0014

Ishwar Sharan, Shishir Sinha, Vimal Chandra Srivastava

{"title":"State-of-the-art and recent progress in the synthesis of polyurethanes","authors":"Ishwar Sharan, Shishir Sinha, Vimal Chandra Srivastava","doi":"10.1515/revce-2025-0014","DOIUrl":"https://doi.org/10.1515/revce-2025-0014","url":null,"abstract":"Polyurethanes (PUs) are synthetic substances that satisfy the requirements of many industrial applications, such as films, foams, coatings, adhesives, biomedical devices, sealants, composite materials, and elastomers. The polyaddition reaction of isocyanates, categorized as CMR (carcinogenic, mutagenic, and reprotoxic), and polyols produces commercial PUs. As a result of numerous concerns about the toxic and hazardous properties of isocyanates, which limit their utilization, researchers are being encouraged to develop alternative processes for producing PUs. Nonisocyanate polyurethanes (NIPUs) are synthesized using a sustainable and eco-friendly approach to replace the toxic, hazardous, and detrimental characteristics of isocyanates. Among NIPU’s synthesis methods, aminolysis of cyclic carbonates (CCs), transurethanization, ring-opening polymerization (ROP), and rearrangement are included, with aminolysis of CCs emerging as a potential approach. Novel approaches to obtain materials with improved performance, such as functional groups like acrylates, methacrylates, POSS, and epoxies, may be necessary. Consequently, different approaches for hybrid polyhydroxyurethanes (PHUs) and distinct prepolymerization techniques for NIPUs are delineated. This review work is divided into two sections. The initial section focuses entirely on isocyanate-based methodologies for producing commercial PUs, while the subsequent section is exclusively dedicated to synthesizing NIPUs. This review encompasses all methods employed to produce commercial PUs, NIPUs, and H-NIPUs.","PeriodicalId":54485,"journal":{"name":"Reviews in Chemical Engineering","volume":"29 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2025-08-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144770072","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

Advances in reagent systems and mechanisms for desilication from bauxite via flotation 铝土矿浮选脱硅药剂体系及机理研究进展

IF 4.7 3区工程技术

Reviews in Chemical Engineering Pub Date : 2025-07-31 DOI: 10.1515/revce-2025-0023

Jinyu Zhang, Yanjun Li, Peng Gao, Shuai Yuan, Wentao Zhou

{"title":"Advances in reagent systems and mechanisms for desilication from bauxite via flotation","authors":"Jinyu Zhang, Yanjun Li, Peng Gao, Shuai Yuan, Wentao Zhou","doi":"10.1515/revce-2025-0023","DOIUrl":"https://doi.org/10.1515/revce-2025-0023","url":null,"abstract":"The imbalance between supply and demand for bauxite resources, coupled with inadequate refining process compatibility, poses significant challenges in fulfilling the raw material requirements for the Bayer process, thereby severely hindering the sustainable development of the aluminum industry in China. Consequently, low alumina-to-silica ratio bauxite necessitates pretreatment to enhance its quality, ensuring compliance with the feedstock specifications of the Bayer process. Flotation technology, emerging as an efficacious desilication pretreatment approach, has garnered considerable attention and demonstrated substantial application potential in bauxite desilication. This study comprehensively analyses the chemical composition and mineralogical characteristics of bauxite, systematically elucidating and contrasting the advantages of direct and reverse flotation collectors and auxiliary reagents. Furthermore, it delves into the distinct mechanisms of action these reagents exhibit with diaspore and aluminosilicate minerals. Building upon this foundation, the study offers insights and projections for future research endeavours in bauxite flotation desilication, which holds profound theoretical significance in addressing the trend of depleting bauxite resources in China.","PeriodicalId":54485,"journal":{"name":"Reviews in Chemical Engineering","volume":"51 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2025-07-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144747674","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

Gravity-driven highly selective ultrafiltration: a sustainable solution for addressing global drinking water scarcity 重力驱动的高选择性超滤：解决全球饮用水短缺的可持续解决方案

IF 4.7 3区工程技术

Reviews in Chemical Engineering Pub Date : 2025-06-28 DOI: 10.1515/revce-2024-0040

I Gede Wenten, Khoiruddin Khoiruddin

{"title":"Gravity-driven highly selective ultrafiltration: a sustainable solution for addressing global drinking water scarcity","authors":"I Gede Wenten, Khoiruddin Khoiruddin","doi":"10.1515/revce-2024-0040","DOIUrl":"https://doi.org/10.1515/revce-2024-0040","url":null,"abstract":"This review explores the potential of gravity-driven ultrafiltration (GDU) systems as a sustainable solution to global drinking water challenges. Leveraging hydrostatic pressure instead of external energy inputs, GDU systems offer a low-maintenance, cost-effective approach well-suited for decentralized and resource-constrained settings. The paper provides a detailed analysis of the fluid dynamics and transport mechanisms that underpin GDU operation, emphasizing the influence of biofilm formation, membrane morphology, and material selectivity on system performance. Recent advancements in membrane materials have demonstrated significant improvements in antifouling performance, flux stability, and contaminant removal. Innovative membrane designs are also reviewed for their potential to enhance adaptability and multifunctionality. Real-world case studies highlight the operational feasibility and economic advantages of GDU systems, while identifying key barriers such as long-term reliability, feedwater variability, and limited community-based monitoring capacity. Socio-economic considerations, including modular design strategies and institutional engagement, are examined to support scalable implementation. This comprehensive review offers interdisciplinary insights to inform future research, technology development, and policy planning aimed at advancing sustainable water purification solutions worldwide.","PeriodicalId":54485,"journal":{"name":"Reviews in Chemical Engineering","volume":"17 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2025-06-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144503657","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

Trends and perspectives in deterministic MINLP optimization for integrated planning, scheduling, control, and design of chemical processes 化学过程综合规划、调度、控制和设计的确定性MINLP优化的趋势和前景

IF 4.7 3区工程技术

Reviews in Chemical Engineering Pub Date : 2025-03-28 DOI: 10.1515/revce-2024-0064

David A. Liñán, Luis A. Ricardez-Sandoval

{"title":"Trends and perspectives in deterministic MINLP optimization for integrated planning, scheduling, control, and design of chemical processes","authors":"David A. Liñán, Luis A. Ricardez-Sandoval","doi":"10.1515/revce-2024-0064","DOIUrl":"https://doi.org/10.1515/revce-2024-0064","url":null,"abstract":"Mixed integer nonlinear programming (MINLP) in chemical engineering originated as a tool for solving optimal process synthesis and design problems. Since then, the application of MINLP has expanded to encompass control and operational decisions that are in line with the arising challenges faced by the industry, e.g., sustainability, competitive markets, and volatile supply chain environments. Nowadays, process plants are transitioning from traditional manufacturing practices to automated solutions able to integrate decision-making within manufacturing enterprises. This paradigm shift aims to increase profits, optimize resource utilization efficiency, promote long-term sustainability, minimize waste, and enhance responsiveness under uncertainties and perturbations. Accordingly, the development of reliable, computationally efficient, and robust MINLP algorithms capable of simultaneously handling process design, planning, scheduling, or control decisions are crucial to achieving Industry 4.0 integration goals. This work explores potential research opportunities and recent advances toward the development of integrated decision-making frameworks, focusing on their underlying state-of-the-art optimization tools. We provide an overview of emerging deterministic MINLP optimization algorithms for simultaneous decision-making problems. Furthermore, we constructively discuss the versatility and limitations of these optimization tools. We also highlight how novel optimization theories, both within and outside the chemical engineering domain, can be incorporated into advanced MINLP frameworks suitable for process integration.","PeriodicalId":54485,"journal":{"name":"Reviews in Chemical Engineering","volume":"19 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2025-03-28","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143723130","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

Self-heat recuperation (SHR) theory: principle and applications 自热回热理论：原理与应用

IF 4.7 3区工程技术

Reviews in Chemical Engineering Pub Date : 2025-03-24 DOI: 10.1515/revce-2024-0038

Zhonglin Zhang, Qiwang Hou, Peirui Li, Zhaolun Wen, Xueer Pan, Xiaogang Hao, Guoqing Guan

{"title":"Self-heat recuperation (SHR) theory: principle and applications","authors":"Zhonglin Zhang, Qiwang Hou, Peirui Li, Zhaolun Wen, Xueer Pan, Xiaogang Hao, Guoqing Guan","doi":"10.1515/revce-2024-0038","DOIUrl":"https://doi.org/10.1515/revce-2024-0038","url":null,"abstract":"To alleviate the global climate changes driven by the utilization of carbon-based fuel, various countries of the world have put in more efforts in developing corresponding technologies that can curb global warming and reduce the use of fossil fuels in recent years. Self-heat recuperation (SHR) is a new energy-saving technology that guides the development of energy-consuming systems. Based on the theory of exergy recovery, SHR can minimize energy requirements and optimize energy structure. According to this theory, the heat of the whole process could be recycled into its designed exergy recovery process and circulated within the process without requiring additional heat sources. Herein, first, we introduce three principal analyses (energy analysis, exergy analysis, and entransy analysis) of SHR theory and its applications in distillation, drying, absorption, and other areas. Then, the advantages and existing issues of these applications are summarized in details. Finally, it is proposed that the future development direction for SHR theory should involve the integration of SHR with other energy-saving technologies for optimizing the energy-saving design and improving its industrial applications. This approach can help to achieve cascade energy utilization at the system level.","PeriodicalId":54485,"journal":{"name":"Reviews in Chemical Engineering","volume":"71 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2025-03-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143677795","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

Hybrid MOF-COF structures for advanced gas separation membranes: a short review of synthesis, performance analysis and application potential 用于先进气体分离膜的MOF-COF混合结构：合成、性能分析及应用潜力综述

IF 4.7 3区工程技术

Reviews in Chemical Engineering Pub Date : 2025-03-24 DOI: 10.1515/revce-2024-0088

Maciej Szwast, Daniel Polak

{"title":"Hybrid MOF-COF structures for advanced gas separation membranes: a short review of synthesis, performance analysis and application potential","authors":"Maciej Szwast, Daniel Polak","doi":"10.1515/revce-2024-0088","DOIUrl":"https://doi.org/10.1515/revce-2024-0088","url":null,"abstract":"This review examines the application potential of hybrid MOF-COF structures in fabricating advanced membranes for gas separation. MOF-COF membranes demonstrate exceptional gas separation performance, surpassing the Robeson upper bound for several gas mixtures, including H2/CH4, CO2/CH4, CO2/N2 and O2/N2. Key findings indicate that thin-film MOF-COF membranes exhibit remarkable selectivity and permeability, with some hybrids achieving permeance values exceeding 1,000,000 GPU and ideal separation factors over 30. Additionally, mixed matrix membranes (MMMs) containing MOF-COF hybrids show potential for combining mechanical robustness with high separation efficiency, despite challenges in achieving uniform dispersion. Future research should prioritize scaling up production methods, enhancing the mechanical stability of thin films, and improving polymer-hybrid compatibility in MMMs. Experimental validation of theoretical predictions is essential to address discrepancies and unlock the full potential of these materials. MOF-COF hybrids are poised to revolutionize gas separation technologies and offer promising directions for broader applications, including catalysis and energy storage.","PeriodicalId":54485,"journal":{"name":"Reviews in Chemical Engineering","volume":"49 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2025-03-24","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143677798","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

Accelerating process control and optimization via machine learning 通过机器学习加速过程控制和优化

IF 4.7 3区工程技术

Reviews in Chemical Engineering Pub Date : 2025-03-12 DOI: 10.1515/revce-2024-0060

Ilias Mitrai, Prodromos Daoutidis

引用次数: 0

Identifying gaps in practical use of epoxy foam/aerogels: review - solutions and prospects 确定环氧泡沫/气凝胶在实际应用中的差距：回顾-解决方案和展望

IF 4.7 3区工程技术

Reviews in Chemical Engineering Pub Date : 2025-03-03 DOI: 10.1515/revce-2024-0044

Tomy Muringayil Joseph, Seitkhan Azat, Ehsan Kianfar, Kunnelveli S. Joshy, Omid Moini Jazani, Amin Esmaeili, Zahed Ahmadi, Józef Haponiuk, Sabu Thomas

{"title":"Identifying gaps in practical use of epoxy foam/aerogels: review - solutions and prospects","authors":"Tomy Muringayil Joseph, Seitkhan Azat, Ehsan Kianfar, Kunnelveli S. Joshy, Omid Moini Jazani, Amin Esmaeili, Zahed Ahmadi, Józef Haponiuk, Sabu Thomas","doi":"10.1515/revce-2024-0044","DOIUrl":"https://doi.org/10.1515/revce-2024-0044","url":null,"abstract":"Epoxy foam/aerogel materials (EP-AGs) have potential in the aerospace, construction, and energy industries, allowing the development of lightweight high-performance products for a wide range of applications. Research interest in developing EP-AGs is increasing as it has the potential to create greener and more sustainable materials for making various products. Several commercial applications of EP-AGs and techniques for creating, processing, and drying them have already been reported. The introduction of EP-AGs into value-added materials is one of the most promising options but suffers from a lack of knowledge about the relationships between microstructure and properties. The current obstacles to their use in the industrial sector and for applications and challenges related to factory scale-up are also taken into account. EP-AGs are hindered by critical gaps in applicational and processing complexity, such as scaling up from laboratory to large-scale production, optimizing synthesis and processing techniques, and developing standardized testing protocols. The review focuses on the processing complexities and further difficulties associated with EP-AGs to improve casting burdens, cost-effectiveness, and accessibility in various applications. This review also examines the challenges in synthesizing EP-AGs used to make special materials, their practices, and the technological barriers one would face.","PeriodicalId":54485,"journal":{"name":"Reviews in Chemical Engineering","volume":"24 1 1","pages":""},"PeriodicalIF":4.7,"publicationDate":"2025-03-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143538503","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

Applications of ionizing irradiation in oil industry: a review 电离辐照在石油工业中的应用综述

IF 4.7 3区工程技术

Reviews in Chemical Engineering Pub Date : 2025-02-06 DOI: 10.1515/revce-2024-0072

Ali Taheri, Seyed Pezhman Shirmardi

引用次数: 0