{"title":"Techniques for kinetic parameter estimation in free radical polymerization models","authors":"Lauren A Gibson, Kimberley B McAuley","doi":"10.1016/j.coche.2025.101117","DOIUrl":"10.1016/j.coche.2025.101117","url":null,"abstract":"<div><div>Free radical polymerization (FRP) systems can have many reactions, leading to many kinetic parameters. The most common method to obtain values for kinetic parameters is weighted-least squares estimation, which uses multiple types of measured responses. Error-in-variables model estimation is used when there is significant uncertainty in the model inputs. When FRP models have many unknown parameters, it is difficult to estimate them all uniquely, so modelers often resort to model simplification or subset selection methods for parameter estimation. The aim of this review is to describe the most common techniques that modelers use for kinetic parameter estimation in FRP models.</div></div>","PeriodicalId":292,"journal":{"name":"Current Opinion in Chemical Engineering","volume":"48 ","pages":"Article 101117"},"PeriodicalIF":8.0,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143600530","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Yajuan Shi , Fangyou Yan , Jie Jin , Zheng-Hong Luo , Yin-Ning Zhou
{"title":"Advances in calculation of kinetic parameters in free-radical polymerization by data-driven methods","authors":"Yajuan Shi , Fangyou Yan , Jie Jin , Zheng-Hong Luo , Yin-Ning Zhou","doi":"10.1016/j.coche.2025.101141","DOIUrl":"10.1016/j.coche.2025.101141","url":null,"abstract":"<div><div>Kinetic parameters of free-radical polymerization (FRP) are crucial for determining polymerization rate and polymer molecular properties. This opinion article presents various data-driven methods for the determination of kinetic parameters with several case studies based on quantitative structure–property relationships. Such methods allow accurately predict the influence of chemical structural information on kinetic parameters, aligning well with known scientific knowledge. On the long run, with the development of machine learning algorithms, kinetic parameters can be calculated more accurately and efficiently, which can not only deepen the understanding of polymerization kinetics but also help to design new reactants used in FRP.</div></div>","PeriodicalId":292,"journal":{"name":"Current Opinion in Chemical Engineering","volume":"48 ","pages":"Article 101141"},"PeriodicalIF":8.0,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143902501","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}
{"title":"Plastic carbon in the ocean","authors":"Shiye Zhao , Lixin Zhu","doi":"10.1016/j.coche.2025.101101","DOIUrl":"10.1016/j.coche.2025.101101","url":null,"abstract":"<div><div>The annual influx of ∼11 million metric tons of plastic debris into the ocean poses a significant and growing threat to the marine environment globally. Additionally, plastic debris serves as a source of allochthonous carbon to marine ecosystems — a factor that has only drawn scientific attention recently. Herein, we synthesize recent evidence about this new form of plastic carbon in the ocean by addressing it as three components: particulate organic carbon of plastic (<em>pPOC</em>), dissolved organic carbon leaching from plastic (<em>pDOC</em>), and biogenic organic carbon of plastic-attached biofilm (<em>pBOC</em>). Current estimates of <em>pPOC</em> and <em>pDOC</em> account for only a modest fraction of natural carbon pool in the ocean, but their portions are expected to increase. <em>pDOC</em> is highly heterogenous, varying by polymer types, and has been shown to influence seawater biogeochemistry as well as the structure and function of microbial communities. Furthermore, biofilm biomass colonizing on plastic debris can utilize the <em>pP</em>OC and <em>pDOC</em> as carbon sources. Current evidences proved the incorporation of plastic carbon into microbial biomass, which consequently affects the carbon and nitrogen cycling. Given these emerging insights, we further suggest specific research questions aimed at stimulating research on the nature, dynamics, and role of plastic carbon in the ocean.</div></div>","PeriodicalId":292,"journal":{"name":"Current Opinion in Chemical Engineering","volume":"48 ","pages":"Article 101101"},"PeriodicalIF":8.0,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144240723","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}
Vitoria H Cauduro , Gustavo Gohlke , Nicole W da Silva , Adriano G Cruz , Erico MM Flores
{"title":"A review on scale-up approaches for ultrasound-assisted extraction of natural products","authors":"Vitoria H Cauduro , Gustavo Gohlke , Nicole W da Silva , Adriano G Cruz , Erico MM Flores","doi":"10.1016/j.coche.2025.101120","DOIUrl":"10.1016/j.coche.2025.101120","url":null,"abstract":"<div><div>The extraction of bioactive compounds from natural sources is a topic of great interest. In this sense, ultrasound-assisted extraction (UAE) has emerged as a promising technology for fast and efficient extraction of natural products without high organic solvent consumption. However, most studies on UAE are focused on laboratory scale. In order for this technology to be suitable for industrial applications, more pilot studies need to be developed and discussed. In this sense, this review aimed to address scale-up applications of UAE of natural products developed from 2019 to the first semester of 2024. Applications involving hydrodynamic cavitation were not included in this review. Key parameters related to ultrasound were addressed, such as reactor configuration, process type (batch or continuous), frequency, and others. Furthermore, the major challenges associated with the upscaling of UAE, as well as current trends and future perspectives were discussed. It was observed that flow cells were the main reactor type used in scale-up UAE of natural products and that flow-through was the main operation mode. The use of these devices enabled processing of higher sample volumes, possibly due to more homogeneous energy distribution in the reactor. Hence, further enhancements in this area should be expected. Furthermore, phenolic compounds were the main targets of extraction and low frequencies (<100 kHz) were used. However, a challenge remains regarding the lack of essential information in several publications, which makes comparison between studies difficult, as well as their reproduction. Nevertheless, scale-up UAE of natural products is a promising research area.</div></div>","PeriodicalId":292,"journal":{"name":"Current Opinion in Chemical Engineering","volume":"48 ","pages":"Article 101120"},"PeriodicalIF":8.0,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143682639","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}
{"title":"Radical-chemistry-driven polymer synthesis, modification, and recycling: trends in modeling to upgrade our knowledge and process design","authors":"Dagmar R D’hooge","doi":"10.1016/j.coche.2025.101144","DOIUrl":"10.1016/j.coche.2025.101144","url":null,"abstract":"<div><div>Polymer synthesis, modification, and recycling are important polymer reaction engineering (PRE) processes that rely in many cases on radical chemistry. The optimal settings and innovation depend strongly on the characterization degree, which is complicated by the many chain lengths, compositions, and topologies. To grasp macromolecular variations, we need to bridge experimental and modeling methods, the latter the focus of the present work. Emphasis is on (i) faster kinetic Monte Carlo simulations; (ii) the striving for universal solvers; (iii) protocols for parameter determination; (iv) modeling outputs for structure-property relationships; and (v) optimization via artificial intelligence and machine learning methods.</div></div>","PeriodicalId":292,"journal":{"name":"Current Opinion in Chemical Engineering","volume":"48 ","pages":"Article 101144"},"PeriodicalIF":8.0,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144088925","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}
{"title":"Insights into the biodegradation and bioremediation of microplastics: mechanisms and analytical methods","authors":"Kanika Dogra , Manish Kumar , Nancy Ornelas-Soto , Abrahan Mora , Dibyendu Sarkar , Rangabhashiyam Selvasembian , Kanchan Deoli Bahukhandi , Jürgen Mahlknecht","doi":"10.1016/j.coche.2025.101133","DOIUrl":"10.1016/j.coche.2025.101133","url":null,"abstract":"<div><div>Microplastics (MPs) degrade through various abiotic processes (thermal, mechanical, hydrolytic, and photo-oxidative) and biotic processes involving microorganisms. This study investigates specific bacteria, fungi, and algae that contribute to MP biodegradation, focusing on species like <em>Bacillus, Rhodococcus</em>, and <em>Pseudomonas</em>, which produce enzymes such as PETase, laccases, and peroxidases to break down high- and low-density polyethylene. However, the biodegradation process varies based on environmental factors and the durability of plastics. There is an urgent need to use advanced methods to understand degradation and its byproducts. Microbial degradation holds promise for addressing MPs, but further research is needed to enhance efficiency and develop sustainable solutions.</div></div>","PeriodicalId":292,"journal":{"name":"Current Opinion in Chemical Engineering","volume":"48 ","pages":"Article 101133"},"PeriodicalIF":8.0,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143851797","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}
{"title":"Current status of chemical- or enzyme-assisted ultrasonic pre-treatment processes for lignocellulosic biomass to assess industrialization progress: A review","authors":"Salla Kälkäjä , Katja Lappalainen , François Delattre , Jean-Marc Lévêque","doi":"10.1016/j.coche.2025.101124","DOIUrl":"10.1016/j.coche.2025.101124","url":null,"abstract":"<div><div>Global warming and rising pollution levels require a paradigm shift from fossil fuels to renewable feedstock. The valorization of lignocellulose, a virtually endless resource, implies the selective extraction of the three main components, cellulose, hemicellulose and lignin, to then treat them separately. Among the methods of pretreatment/preferential dissolution of biomass, low-frequency ultrasound (US) has shown to be a promising disruptive technology. Eager to be combined with physical technologies, chemical agents or enzymes, many examples under low-frequency US exist at the lab scale. However, examples of scaling-up of US-processing of biomass remain yet scarce. It appears quite challenging to design ultrasonic equipment that allows sufficient and homogeneous energy powers in large volumes, although recent pioneering work shows considerable progress. This review aims at highlighting the latest works on biomass pretreatment under chemically or enzymatically assisted ultrasonic irradiation on both lab and pilot/semi-industrial scales together with future directions to enable scale-up of ultrasonic processes for biomass valorization.</div></div>","PeriodicalId":292,"journal":{"name":"Current Opinion in Chemical Engineering","volume":"48 ","pages":"Article 101124"},"PeriodicalIF":8.0,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143768270","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Hande Demir , Pinar Aydogan Gokturk , Ethan J Crumlin
{"title":"Using advanced X-ray spectroscopy to reveal molecular level insights into water treatment","authors":"Hande Demir , Pinar Aydogan Gokturk , Ethan J Crumlin","doi":"10.1016/j.coche.2025.101103","DOIUrl":"10.1016/j.coche.2025.101103","url":null,"abstract":"<div><div>Water treatment technologies separate relevant solutes from water resources for water reuse, valuable resource recovery, and increasing the equity and availability of clean water worldwide. Although a variety of treatment methods exist, their performance needs to be improved to enable selective separation with increased durability and fouling resistance. To achieve this, we need to gain a better understanding of how molecular-level physics and chemistry impact integrated systems. Regarding current research on water treatment techniques, there is a clear need to study such systems under realistic environmental conditions. In this review, we aim to show that X-ray spectroscopic techniques are uniquely positioned to provide such information by obtaining detailed molecular insight into phenomena relevant to water research. By doing so, we hope to accelerate the rational design of novel treatment materials and processes. Specifically, a deeper understanding of the complex and interconnected phenomena that impact multilevel water treatment processes will lead to the successful development of next-generation water purification technologies.</div></div>","PeriodicalId":292,"journal":{"name":"Current Opinion in Chemical Engineering","volume":"48 ","pages":"Article 101103"},"PeriodicalIF":8.0,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143446075","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Industrialization of hydrodynamic cavitation in plant resource extraction","authors":"Francesco Meneguzzo, Federica Zabini","doi":"10.1016/j.coche.2025.101140","DOIUrl":"10.1016/j.coche.2025.101140","url":null,"abstract":"<div><div>Substantial evidence has accumulated about the outstanding effectiveness and efficiency of controlled hydrodynamic cavitation (HC) processes for extracting plant resources, as well as its compliance with the principles of green extraction of natural products. A few applications, such as the manufacturing of certain vegetable beverages and beer, offer considerable potential for industrial applications. However, resistance to innovation and possibly the issue of capital costs needed to replace or integrate existing installations can represent important barriers. Further promising application fields concern the manufacturing of dry extracts rich in bioactive compounds from plant resources. However, water removal steps account for most of the energy consumption, thus as high as possible biomass concentration should be used, which sets the design and test of effective strategies to intensify cavitation as a research priority. This short review surveys the most recent studies and proposes practical recommendations toward the actual industrialization of HC processes.</div></div>","PeriodicalId":292,"journal":{"name":"Current Opinion in Chemical Engineering","volume":"48 ","pages":"Article 101140"},"PeriodicalIF":8.0,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143898767","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}
Nisha T Padmanabhan , Laura Clarizia , Priyanka Ganguly
{"title":"Advancing hydrogen storage: critical insights to potentials, challenges, and pathways to sustainability","authors":"Nisha T Padmanabhan , Laura Clarizia , Priyanka Ganguly","doi":"10.1016/j.coche.2025.101135","DOIUrl":"10.1016/j.coche.2025.101135","url":null,"abstract":"<div><div>Research in green hydrogen production is advancing through photocatalysis and electrocatalysis, but storage remains a challenge. Promising hydrogen carriers, such as methanol, ammonia, formic acid, liquid organic hydrogen carriers, and metal hydrides, face issues like low hydrogen content and high energy demands. This review highlights innovations in hydrogen storage, focusing on carrier synthesis and photocatalytic hydrogen release for sustainable, energy-efficient solutions. Advancing catalysts, reactors, lifecycle assessments, and economic feasibility is crucial. Hybrid approaches and augmented intelligence are essential for developing cost-effective, high-efficiency storage systems, driving progress toward a sustainable hydrogen economy.</div></div>","PeriodicalId":292,"journal":{"name":"Current Opinion in Chemical Engineering","volume":"48 ","pages":"Article 101135"},"PeriodicalIF":8.0,"publicationDate":"2025-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"143843804","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}