Current Opinion in Chemical Engineering最新文献

Direct air capture of CO2: an industrial perspective 二氧化碳的直接空气捕获：工业视角

IF 6.8 2区工程技术

Current Opinion in Chemical Engineering Pub Date : 2025-10-11 DOI: 10.1016/j.coche.2025.101190

Tim M Nisbet, Alexander W van der Made

{"title":"Direct air capture of CO2: an industrial perspective","authors":"Tim M Nisbet, Alexander W van der Made","doi":"10.1016/j.coche.2025.101190","DOIUrl":"10.1016/j.coche.2025.101190","url":null,"abstract":"<div><div>Direct air capture (DAC) is a crucial carbon dioxide removal (CDR) technology for achieving net-zero emissions by balancing atmospheric CO₂ release with removal. It serves two key roles: (a) when integrated with Carbon Capture and Storage (DAC-CCS), it enables permanent CO₂ removal to offset emissions from hard-to-abate sources like aviation; and (b) when combined with Carbon Capture and Utilization (DAC-CCU), it provides non-fossil CO₂ for producing defossilized fuels and zero-carbon chemicals. To fulfill these roles, DAC systems must be scalable and economically viable. While academic studies often focus on assessing sorbent performance under a limited range of weather conditions and for limited periods, we advocate that industrial scale deployment demands DAC systems with additional key features such as low pressure drop, high reliability for long periods (years) in a wide range of weather conditions (temperature, relative humidity), resistance to fouling from particulates in air, and without loss of performance by reingestion of CO2 depleted air. These key features are more commonly addressed in patent literature by companies nearing commercialization rather than in academic publications. Moreover, DAC technologies must be capital-efficient, and use low-cost, recyclable sorbents.</div></div>","PeriodicalId":292,"journal":{"name":"Current Opinion in Chemical Engineering","volume":"50 ","pages":"Article 101190"},"PeriodicalIF":6.8,"publicationDate":"2025-10-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145263086","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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

Exploring beyond experiment: generating high-quality datasets of transition metal complexes with quantum chemistry and machine learning 探索超越实验：用量子化学和机器学习生成高质量的过渡金属配合物数据集

IF 6.8 2区工程技术

Current Opinion in Chemical Engineering Pub Date : 2025-10-04 DOI: 10.1016/j.coche.2025.101189

Jacob W Toney , Aaron G Garrison , Weiliang Luo , Roland G St. Michel , Sukrit Mukhopadhyay , Heather J Kulik

{"title":"Exploring beyond experiment: generating high-quality datasets of transition metal complexes with quantum chemistry and machine learning","authors":"Jacob W Toney , Aaron G Garrison , Weiliang Luo , Roland G St. Michel , Sukrit Mukhopadhyay , Heather J Kulik","doi":"10.1016/j.coche.2025.101189","DOIUrl":"10.1016/j.coche.2025.101189","url":null,"abstract":"<div><div>Machine learning (ML) approaches enable screening of the vast chemical space of transition metal complexes (TMCs) at faster speeds than either experimental approaches or <em>ab initio</em> calculations, but their quality is highly dependent on the reference data used. Existing TMC datasets often leverage experimental structures, which biases methods trained on this data away from reactive configurations. Calculating properties of these TMCs also introduces challenges of spin and oxidation state assignment. Recent work on generating hypothetical TMCs with realistic connectivity and geometry has demonstrated promise to extend datasets beyond experimental structures, especially when combined with ML approaches to identify complexes with desirable properties. Experimental measurements would be ideal to train and/or test these models but are often scarce for TMCs, especially for those that are catalytically active. Thus, properties calculated with electronic structure theory are a popular alternative choice for training ML models. However, TMCs are challenging for many conventional electronic structure methods, and few benchmark datasets exist to assess which methods are most reliable and cost-effective. Many of the recommended methods are computationally demanding, leading to the use of neural network potentials as surrogate models for large-scale screening. By utilizing emerging tools for TMC structure generation and suitable electronic structure methods, increasingly high-quality datasets will be curated to enhance the predictive power of ML approaches to discover novel TMCs, including in the development of neural network potentials. By more accurately predicting TMC properties, promising and practical candidates for catalysis, photosensitizers, molecular devices, and medicine will be identified.</div></div>","PeriodicalId":292,"journal":{"name":"Current Opinion in Chemical Engineering","volume":"50 ","pages":"Article 101189"},"PeriodicalIF":6.8,"publicationDate":"2025-10-04","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145217613","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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

Microplastics and antibiotics in agricultural soil: mechanisms and implications of co-contamination 农业土壤中的微塑料和抗生素：共同污染的机制和影响

IF 6.8 2区工程技术

Current Opinion in Chemical Engineering Pub Date : 2025-09-19 DOI: 10.1016/j.coche.2025.101181

Maoyuan Liao , Leilei Xiang , Yu Wang , Yuhao Fu , Jean D Harindintwali , Xin Jiang , Martin Elsner , Matthias C Rillig , Fang Wang

{"title":"Microplastics and antibiotics in agricultural soil: mechanisms and implications of co-contamination","authors":"Maoyuan Liao , Leilei Xiang , Yu Wang , Yuhao Fu , Jean D Harindintwali , Xin Jiang , Martin Elsner , Matthias C Rillig , Fang Wang","doi":"10.1016/j.coche.2025.101181","DOIUrl":"10.1016/j.coche.2025.101181","url":null,"abstract":"<div><div>The co-contamination of agricultural soils by microplastics (MPs), antibiotics, and antibiotic resistance genes (ARGs) is an emerging environmental concern with significant ecological and public health implications. This review explores the sources, interactions, and consequences of MPs and antibiotics/ARGs co-occurrence in soil systems. Agricultural practices, such as manure application, wastewater irrigation, and sewage sludge amendment, are primary contributors to this co-contamination. MPs not only serve as physical vectors but also actively interact with antibiotics and ARGs through processes like adsorption, aging, and biofilm formation, enhancing the emergence and dissemination of resistance genes. These interactions disrupt soil physicochemical properties and microbial communities, impairing soil health and reducing crop productivity. Furthermore, the accumulation of MPs and ARGs in edible plants raises concerns about human exposure through the food chain. Emerging evidence links such exposure to health risks, including metabolic, cardiovascular, neurological, and gastrointestinal disorders. Understanding the mechanisms underlying this co-contamination is critical for informing risk assessments and guiding mitigation strategies to protect soil ecosystems and public health.</div></div>","PeriodicalId":292,"journal":{"name":"Current Opinion in Chemical Engineering","volume":"50 ","pages":"Article 101181"},"PeriodicalIF":6.8,"publicationDate":"2025-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145099647","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"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

Editorial overview: Transforming water technologies in the United States: Insights from the National Alliance for Water Innovation 社论概述：美国水技术转型：来自全国水创新联盟的见解

IF 6.8 2区工程技术

Current Opinion in Chemical Engineering Pub Date : 2025-09-15 DOI: 10.1016/j.coche.2025.101180

Jeffrey R. McCutcheon , Meagan Mauter

引用次数: 0

Photocatalytic slurry reactor for hydrogen production via water splitting 水裂解制氢光催化浆体反应器

IF 6.8 2区工程技术

Current Opinion in Chemical Engineering Pub Date : 2025-09-09 DOI: 10.1016/j.coche.2025.101179

Hugo de Lasa, Angelo Escudero Romero

引用次数: 0

Emerging nonthermal technologies for food safety: trends, limitations, and future research 新兴的食品安全非热技术：趋势、限制和未来研究

IF 6.8 2区工程技术

Current Opinion in Chemical Engineering Pub Date : 2025-09-01 DOI: 10.1016/j.coche.2025.101178

Adrian Yaya-González , Jessica Laika , Yeimmy Peralta-Ruiz

引用次数: 0

Role of cathode materials and their advancement for sustainable hydrogen evolution reaction in microbial electrolysis cells 正极材料在微生物电解池持续析氢反应中的作用及其进展

IF 6.8 2区工程技术

Current Opinion in Chemical Engineering Pub Date : 2025-08-25 DOI: 10.1016/j.coche.2025.101176

Sneha Prakash Naik , Omprakash Sarkar , Velvizhi Gokuladoss , Leonidas Matsakas , Gunda Mohanakrishna

引用次数: 0

Hydrogen production by photocatalytic dehydrogenation of formic acid 甲酸光催化脱氢制氢

IF 6.8 2区工程技术

Current Opinion in Chemical Engineering Pub Date : 2025-08-21 DOI: 10.1016/j.coche.2025.101175

Laura Valenzuela , Zahraa Abou Khalil , Agnieszka M. Ruppert , Marco Daturi , Mohammad El-Roz , Nicolas Keller

引用次数: 0

Reduction in solvent and chemical use for membrane manufacturing using electrospray 减少溶剂和化学品使用的膜制造使用电喷雾

IF 6.8 2区工程技术

Current Opinion in Chemical Engineering Pub Date : 2025-08-20 DOI: 10.1016/j.coche.2025.101173

Salman Ahmadipouya , Usama J Sheikh , Noah Ferguson , Mert C Hacifazlioglu , Deniz Ipekci , Jeffrey R McCutcheon

引用次数: 0

Recent advances, challenges and perspectives on rotating packed bed technology in solvent-based post-combustion carbon capture 溶剂基燃烧后碳捕集旋转填料床技术的最新进展、挑战和展望

IF 6.8 2区工程技术

Current Opinion in Chemical Engineering Pub Date : 2025-08-20 DOI: 10.1016/j.coche.2025.101174

Toluleke E Akinola , Olajide Otitoju , Eni Oko , Meihong Wang

引用次数: 0