Macromolecular Reaction Engineering最新文献_第2页

Modeling n-Butyl Acrylate Polymerization using Complementary Modeling Techniques 利用互补建模技术建模丙烯酸正丁酯聚合

IF 1.3 4区工程技术

Macromolecular Reaction Engineering Pub Date : 2026-08-18 Epub Date: 2026-04-16 DOI: 10.1002/mren.70018

Marco Drache, Inka Helmer, Sebastian Klepatz, Kristina Maria Zentel

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Quantification of Homopolymer Impurities in Structured Acrylate Copolymers Produced by High-Temperature Semi-Batch Radical Polymerization 高温半间歇自由基聚合制备的结构丙烯酸酯共聚物中均聚物杂质的定量分析

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Macromolecular Reaction Engineering Pub Date : 2026-08-18 Epub Date: 2026-02-06 DOI: 10.1002/mren.70010

Elizabeth G. Bygott, Amaris J. Wilkins, Daniel C. Kraiter, Robin A. Hutchinson

{"title":"Quantification of Homopolymer Impurities in Structured Acrylate Copolymers Produced by High-Temperature Semi-Batch Radical Polymerization","authors":"Elizabeth G. Bygott, Amaris J. Wilkins, Daniel C. Kraiter, Robin A. Hutchinson","doi":"10.1002/mren.70010","DOIUrl":"https://doi.org/10.1002/mren.70010","url":null,"abstract":"Starved-feed semi-batch radical polymerization of isobornyl acrylate (iBoA) at high temperatures is used to produce a high macromonomer content polymer without a mediating agent. The p(iBoA) macromonomer solution serves as an addition-fragmentation agent to synthesize acrylate blocky copolymers via a single-pot sequential feeding process, as has been demonstrated using n-butyl acrylate (BA) as the second monomer. While previous studies confirmed macromonomer incorporation, the copolymer yield was not quantified. In this work, post-polymerization crosslinking is used to quantify macromonomer incorporation and the impact of reaction temperature and monomer feed ratio. Reaction temperature has little effect on the fraction of copolymer product (70 wt.% at 140°C and 160°C), but strongly influences the relative amount of block versus comb copolymer structure. Maintaining a 50/50 feed ratio of the two monomers is, however, necessary to achieve copolymer levels greater than 60 wt.% in the final product. The ability to synthesize a structured copolymer product by radical polymerization without a mediating agent and control the amounts of block versus comb structure offers the potential to efficiently produce polymeric dispersants for industrial applications.","PeriodicalId":18052,"journal":{"name":"Macromolecular Reaction Engineering","volume":"20 4","pages":""},"PeriodicalIF":1.3,"publicationDate":"2026-08-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/mren.70010","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148783703","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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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Polyvinylidene Fluoride: Reaction Engineering and Applications 聚偏氟乙烯：反应工程与应用

IF 1.3 4区工程技术

Macromolecular Reaction Engineering Pub Date : 2026-08-18 Epub Date: 2026-05-03 DOI: 10.1002/mren.70020

Burak Hanamirian, Giuseppe Storti, Mattia Sponchioni

{"title":"Polyvinylidene Fluoride: Reaction Engineering and Applications","authors":"Burak Hanamirian, Giuseppe Storti, Mattia Sponchioni","doi":"10.1002/mren.70020","DOIUrl":"https://doi.org/10.1002/mren.70020","url":null,"abstract":"Polyvinylidene fluoride (PVDF) is a semicrystalline fluoropolymer mostly produced by free-radical suspension or emulsion polymerization. It has the second largest production capacity among all fluoropolymers, following only polytetrafluoroethylene. This great industrial attention is due to its excellent chemical and physical properties, among which its inertness and resistance to chemicals and heat, its high melting point and high tensile strength. As a result, it is one of the first materials of choice in the field of membrane separations, especially for micro and ultrafiltration. In addition, due to its piezoelectric, pyroelectric, and optical properties, PVDF is finding more and more extensive application in batteries and sensors. Given the important role played by PVDF in the polymer market, this review is aimed at reporting the latest advancements in its manufacturing, with particular reference to the innovations introduced following the new legislation on environmental protection from perfluoroalkyl substances. The main focus is on the emulsion polymerization process, where experimental conditions and models from the literature are presented and discussed. After having clarified the polymer reaction engineering aspects for this material, the latest advancements in the application of PVDF are reviewed, with the aim of highlighting its strengths as well as points for improvement.","PeriodicalId":18052,"journal":{"name":"Macromolecular Reaction Engineering","volume":"20 4","pages":""},"PeriodicalIF":1.3,"publicationDate":"2026-08-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/mren.70020","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148783665","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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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Combined CFD and Monte Carlo Simulation for Modeling the Impact of Mixing on the High-Pressure Polymerization of Ethylene 混合对乙烯高压聚合影响的CFD与蒙特卡罗模拟

IF 1.3 4区工程技术

Macromolecular Reaction Engineering Pub Date : 2026-08-18 Epub Date: 2026-07-23 DOI: 10.1002/mren.70024

Lena Gockel, Emil Schwarz, Markus Busch

{"title":"Combined CFD and Monte Carlo Simulation for Modeling the Impact of Mixing on the High-Pressure Polymerization of Ethylene","authors":"Lena Gockel, Emil Schwarz, Markus Busch","doi":"10.1002/mren.70024","DOIUrl":"https://doi.org/10.1002/mren.70024","url":null,"abstract":"The free-radical polymerization of ethylene under high-pressure conditions involves highly reactive radicals and short reaction times. Especially in the vicinity of the initiator feed location, mixing can influence the radical distribution and, consequently, the polymer properties. This work aims to link mixing, modeled using computational fluid dynamics (CFD), with polymer property information such as molecular weight distribution (MWD) and branching density through a Monte Carlo approach. The presented modeling framework uses the concept of compartmentalization to transfer mixing information from the CFD model to the Monte Carlo model. Comparison with polymer samples from a mini-plant reactor shows good agreement between the simulated and measured MWDs. In contrast to most existing models based on ideal reactor concepts, the approach presented here does not require parameter adjustment, for example, for initiator efficiency. Furthermore, the developed compartmentalization model can be used as a deterministic model in place of a CFD simulation, significantly reducing simulation time.","PeriodicalId":18052,"journal":{"name":"Macromolecular Reaction Engineering","volume":"20 4","pages":""},"PeriodicalIF":1.3,"publicationDate":"2026-08-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/mren.70024","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148785144","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"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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Issue Information: Macromol. React. Eng. 4/2026 发布信息：Macromol。反应。Eng。4/2026

IF 1.3 4区工程技术

Macromolecular Reaction Engineering Pub Date : 2026-08-18 DOI: 10.1002/mren.70029

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Exploratory Study on the Production of Bimodal Microsuspension PVC Products in a One Pot Process 一锅法生产双峰微悬浮PVC制品的探索性研究

IF 1.3 4区工程技术

Macromolecular Reaction Engineering Pub Date : 2026-08-18 Epub Date: 2026-02-13 DOI: 10.1002/mren.70011

Thomas Lys, Timothy F. L. McKenna

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A Mechanistic Study of the Influence of Oxygen on Free Radical Polymerization of Butyl Acrylate, Vinyl Acetate and Methyl Methacrylate 氧对丙烯酸丁酯、醋酸乙烯酯和甲基丙烯酸甲酯自由基聚合影响的机理研究

IF 1.3 4区工程技术

Macromolecular Reaction Engineering Pub Date : 2026-08-18 Epub Date: 2026-01-20 DOI: 10.1002/mren.70007

Aleksandar Sladojević, Shaghayegh Hamzehlou, Nicholas Ballard, Jose R. Leiza

{"title":"A Mechanistic Study of the Influence of Oxygen on Free Radical Polymerization of Butyl Acrylate, Vinyl Acetate and Methyl Methacrylate","authors":"Aleksandar Sladojević, Shaghayegh Hamzehlou, Nicholas Ballard, Jose R. Leiza","doi":"10.1002/mren.70007","DOIUrl":"https://doi.org/10.1002/mren.70007","url":null,"abstract":"<div>\u0000 \u0000 In the commercial production of acrylic and vinyl polymers, trace amounts of oxygen can significantly disrupt free-radical polymerization by generating toxic volatile organic compounds (VOCs), retarding polymerization, and altering polymer properties. To establish a mechanistic understanding of these effects across industrially relevant monomers, this work examines the influence of oxygen on the solution homopolymerizations of butyl acrylate (BA), vinyl acetate (VAc), and methyl methacrylate (MMA). Systematic experiments conducted under nitrogen and air reveal pronounced monomer-dependent behavior: BA and VAc exhibit severe retardation and form only oligomeric species, while MMA continues to polymerize but shows substantial reductions in molar mass. In all three systems, the presence of oxygen promotes the formation of toxic VOCs, with the extent of oxidation increasing sharply as monomer concentration decreases. To complement the experimental findings, a mechanistic kinetic model is developed for MMA, enabling prediction of monomer conversion, VOC formation, and molecular-weight evolution under oxygen-containing conditions. Together, this work provides a unified framework for understanding oxygen-induced defects in industrial free-radical polymerization processes involving acrylic and vinyl monomers.\u0000 </div>","PeriodicalId":18052,"journal":{"name":"Macromolecular Reaction Engineering","volume":"20 4","pages":""},"PeriodicalIF":1.3,"publicationDate":"2026-08-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148784561","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Recurrent Autoencoder for Fault Detection in a Polymerization Reactor Train 聚合反应器故障检测的循环自编码器

IF 1.3 4区工程技术

Macromolecular Reaction Engineering Pub Date : 2026-06-17 Epub Date: 2026-06-04 DOI: 10.1002/mren.70022

Mariano M. Perdomo, Luis A. Clementi, Jorge R. Vega

{"title":"Recurrent Autoencoder for Fault Detection in a Polymerization Reactor Train","authors":"Mariano M. Perdomo, Luis A. Clementi, Jorge R. Vega","doi":"10.1002/mren.70022","DOIUrl":"https://doi.org/10.1002/mren.70022","url":null,"abstract":"<div>\u0000 \u0000 A fault detection system based on a recurrent autoencoder is proposed, suitable for continuous processes with complex nonlinear dynamics. The system consists of three modules: 1) a recurrent autoencoder; 2) a fault state detection module; and 3) an interpretation module. The training strategy only requires process data obtained under normal operating conditions. The fault detection module analyzes the total reconstruction error of the measured variables obtained by the recurrent autoencoder. The interpretability module examines the reconstruction errors of the individual variables and highlights variables potentially responsible for the detected anomaly. The developed system is applied to a computationally simulated Styrene-Butadiene rubber latex production process. The latex is synthesized in a train of continuous stirred tank reactors that may be affected by various types of faults. Simulation results show a satisfactory performance of the proposed fault detection system. Failures whose data patterns differ significantly from those of normal operation are effectively detected. In contrast, some subtle faults only cause minor deviations in the data patterns and are therefore difficult to detect rapidly, leading to delays in detection. In most cases, the interpretability module can correctly identify the variable more strongly associated with the detected fault.\u0000 </div>","PeriodicalId":18052,"journal":{"name":"Macromolecular Reaction Engineering","volume":"20 3","pages":""},"PeriodicalIF":1.3,"publicationDate":"2026-06-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148269215","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Synthesis of Liquid Polyisoprene via Anionic Chain Transfer Polymerization and Its 100-Fold Scale-Up in a 2-Liter Reactor 阴离子链转移聚合法合成液态聚异戊二烯及其在2升反应器中的100倍放大

IF 1.3 4区工程技术

Macromolecular Reaction Engineering Pub Date : 2026-06-17 Epub Date: 2026-04-30 DOI: 10.1002/mren.70019

Yong Li, Zijing Yao, Zheng Liu, Ting Liu, Li Han, Hong-Wei Ma

{"title":"Synthesis of Liquid Polyisoprene via Anionic Chain Transfer Polymerization and Its 100-Fold Scale-Up in a 2-Liter Reactor","authors":"Yong Li, Zijing Yao, Zheng Liu, Ting Liu, Li Han, Hong-Wei Ma","doi":"10.1002/mren.70019","DOIUrl":"https://doi.org/10.1002/mren.70019","url":null,"abstract":"<div>\u0000 \u0000 The primary synthesis of liquid rubber via anionic polymerization requires substantial alkali metal initiators, resulting in high costs. This study introduces a metal-free chain transfer agent (CTA), 9,10-dihydroanthracene (DHA), into the anionic polymerization of isoprene (Ip). A series of liquid polyisoprenes (PIp) with number-average molecular weights (Mn) ranging from 2100 to 6800 g/mol were synthesized. Furthermore, the correlation between DHA, THF dosage, and reaction temperature and the resulting polymer structures was established. The results indicate that at 20°C, DHA induces chain transfer during the anionic polymerization of Ip. Moreover, higher dosages of both DHA and THF led to lower Mn and polydispersity index (PDI) of the resulting PIp, corresponding to a lower degree of polymerization (<math>\u0000 <semantics>\u0000 <msub>\u0000 <mover>\u0000 <mi>X</mi>\u0000 <mo>¯</mo>\u0000 </mover>\u0000 <mi>n</mi>\u0000 </msub>\u0000 <annotation>${bar X_n}$</annotation>\u0000 </semantics></math>). Concurrently, the initiator efficiency (EI) and chain transfer constant (CM) increased. Conversely, −25°C effectively suppressed chain transfer, while 60°C did not significantly promote the process. To validate its practical potential, a 100-fold scale-up experiment was performed. This yielded a series of liquid PIp with Mn below 2500 g/mol, PDI below 1.21, EI greater than 20.0, and CM greater than 2.8 × 10−2. It provides crucial theoretical and experimental foundations for advancing the preparation technology of liquid rubber.\u0000 </div>","PeriodicalId":18052,"journal":{"name":"Macromolecular Reaction Engineering","volume":"20 3","pages":""},"PeriodicalIF":1.3,"publicationDate":"2026-06-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148269359","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

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Issue Information: Macromol. React. Eng. 3/2026 发布信息：Macromol。反应。Eng。3/2026

IF 1.3 4区工程技术

Macromolecular Reaction Engineering Pub Date : 2026-06-17 DOI: 10.1002/mren.70023

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