Polymer Reaction Engineering最新文献_第2页

Modelling and Simulation of Complex Aspects of Multicomponent Emulsion Polymerization 多组分乳液聚合复杂方面的建模与仿真

Polymer Reaction Engineering Pub Date : 2003-12-31 DOI: 10.1081/PRE-120026372

B. R. Barclay, A. Penlidis, J. Gao

{"title":"Modelling and Simulation of Complex Aspects of Multicomponent Emulsion Polymerization","authors":"B. R. Barclay, A. Penlidis, J. Gao","doi":"10.1081/PRE-120026372","DOIUrl":"https://doi.org/10.1081/PRE-120026372","url":null,"abstract":"The focus of this work is the refinement of a general mechanistic simulator for multi‐component free radical emulsion polymerization. The effort includes three main areas of simulator development, namely, model development, database development and simulator verification. The model is general and can predict the dynamic evolution of emulsion polymerizations for a variety of monomer systems while giving the user as many “model options” as possible for fine tuning. The model has been extensively tested for several copolymerization systems including combinations of the monomers, styrene, methyl methacrylate, methyl acrylate, butyl acrylate, acrylonitrile, 2‐ehtyl hexyl acrylate and vinyl acetate. The simulator has been developed using a mechanistic framework that is analogous to the multicomponent free radical bulk and solution polymerization model developed in Gao and Penlidis (1996&1998) and is a continuation of Gao and Penlidis ([2002]), which explored emulsion homopolymerization and preliminary copolymerization modelling. The model includes a rigorous thermodynamic approach for determining monomer partitioning, the inclusion of both homogeneous and micellar particle nucleation as well as the ability to simulate various reactor configurations including batch and semi‐batch operation. Database items used in the simulator are chosen based on direct experimental data (when available) or from analogous situations and parameter estimations. The model has been developed in a general fashion such that a monomer, initiator, emulsifier, transfer agent etc. can be added to the database at any time. Furthermore, the model has been extended to predict particle size distribution of the resulting emulsion. This model has been tested with many case studies against a variety of experimental data and can be used for design of experiments for production of emulsions with customized distributions. #This paper is dedicated to Professor Gary W. Poehlein whose papers had always something new to teach us, both practical and theoretical.","PeriodicalId":124648,"journal":{"name":"Polymer Reaction Engineering","volume":"12 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2003-12-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"125944321","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 5

Simulation of Free Radical High‐Pressure Copolymerization in a Multizone Autoclave: Model Development and Application 多区热压釜中自由基高压共聚的模拟:模型开发与应用

Polymer Reaction Engineering Pub Date : 2003-12-31 DOI: 10.1081/PRE-120026882

M. Ghiass, R. Hutchinson

{"title":"Simulation of Free Radical High‐Pressure Copolymerization in a Multizone Autoclave: Model Development and Application","authors":"M. Ghiass, R. Hutchinson","doi":"10.1081/PRE-120026882","DOIUrl":"https://doi.org/10.1081/PRE-120026882","url":null,"abstract":"A well‐mixed model has been formulated to study the steady‐state high pressure free‐radical homo‐ and copolymerization of ethylene and vinyl acetate in an industrial multi‐feed multi‐zone autoclave reactor system. Using a realistic set of kinetic mechanisms and coefficients, the multi‐zone system is modeled as a simple set of well‐mixed tank reactors in series. Results from this representation are compared to experimental data in order to estimate apparent initiator efficiencies in each zone. The model is used to calculate monomer conversion and initiator consumption rate, number and weight average molecular weights, and short and long chain branching frequencies at the exit point of each zone and the whole reactor. The effects of zone temperature, feed temperature, and initiator decomposition kinetics on the steady‐state reactor performance and polymer properties are considered and simulation results are compared with the industrial data. While estimated initiator efficiencies provide a clear indication of imperfect mixing in the system, the model representation is still able to provide a reasonable estimate of polymer properties.","PeriodicalId":124648,"journal":{"name":"Polymer Reaction Engineering","volume":"35 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2003-12-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"124931382","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 16

Multivariate Statistical Monitoring of a High‐Pressure Polymerization Process 高压聚合过程的多元统计监测

Polymer Reaction Engineering Pub Date : 2003-12-31 DOI: 10.1081/PRE-120026883

V. Kumar, U. Sundararaj, S. Shah, D. Hair, L. J. Vande Griend

{"title":"Multivariate Statistical Monitoring of a High‐Pressure Polymerization Process","authors":"V. Kumar, U. Sundararaj, S. Shah, D. Hair, L. J. Vande Griend","doi":"10.1081/PRE-120026883","DOIUrl":"https://doi.org/10.1081/PRE-120026883","url":null,"abstract":"The high pressure LDPE (low density polyethylene) industrial process operates under supercritical conditions, and so it is necessary to monitor its performance to prevent abnormal situations. Extreme deviations from the normal operating region lead to conditions such as: loss of normal reaction, decompositions of the reactants, and lost production due to outages. Multivariate Statistical Process Control strategies operate on top of the DCS (distributed control system) to detect and diagnose abnormal process behavior and provide the operators an opportunity to take preventative operational actions. Process engineers may also use it for off‐line diagnosis of poorly understood processes. In this work, data from a commercial LDPE/EVA (ethylene–vinyl acetate copolymer) high‐pressure unit using an OPC (Object linking and embedding for Process Control) server installed on the DCS is used to build empirical models and perform fault detection. Data transfer issues, preprocessing, process model development using Principal Components Analysis (PCA) and first principles modelling of critical equipment are provided. In addition to showing grade transitions in the latent variable space, the models were used to detect process shifts. Process data from various real faults were considered and it was established that PCA could be employed to predict and diagnose process faults. The study gives recommendations for process monitoring strategies.","PeriodicalId":124648,"journal":{"name":"Polymer Reaction Engineering","volume":"55 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2003-12-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"122848662","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 13

Emulsion Polymerization and Related Processes 乳液聚合及其相关工艺

Polymer Reaction Engineering Pub Date : 2003-12-31 DOI: 10.1081/PRE-120026876

G. Poehlein

引用次数: 1

A Personal History of Chemically Functional Polymer Colloids: Formation, Characterization, and Applications 个人历史的化学功能聚合物胶体:形成，表征，和应用

Polymer Reaction Engineering Pub Date : 2003-12-31 DOI: 10.1081/PRE-120026381

R. M. Fitch

引用次数: 6

Continuous Emulsion Copolymerization of Styrene and Methyl Methacrylate Using Sodium Lauryl Sulfate as Emulsifier. I. Effect of Operational Variables 以十二烷基硫酸钠为乳化剂的苯乙烯与甲基丙烯酸甲酯连续乳液共聚研究。1、操作变量的影响

Polymer Reaction Engineering Pub Date : 2003-12-31 DOI: 10.1081/PRE-120026373

Shi-jiang Fang, W. Xue, M. Nomura

{"title":"Continuous Emulsion Copolymerization of Styrene and Methyl Methacrylate Using Sodium Lauryl Sulfate as Emulsifier. I. Effect of Operational Variables","authors":"Shi-jiang Fang, W. Xue, M. Nomura","doi":"10.1081/PRE-120026373","DOIUrl":"https://doi.org/10.1081/PRE-120026373","url":null,"abstract":"Continuous emulsion copolymerizations of styrene(St) and methyl methacrylate(MMA) were carried out at 50°C in a single continuous stirred tank reactor (CSTR) using sodium lauryl sulfate as emulsifier and potassium persulfate as initiator, respectively. The effect of operational variables such as the initiator and emulsifier concentrations in the feed and the mean residence time on the kinetic behavior was examined with the weight ratio of St/MMA in the monomer feed fixed at 1.0. It was found that 1) oscillation in monomer conversion takes place, although its amplitude is comparatively small compared with that usually observed in the continuous emulsion polymerization of vinyl acetate in a CSTR, 2) the (time‐average) steady‐state total monomer conversion is proportional to the 1.7 power of the emulsifier, to the − 0.2 power of the initiator concentrations and to the 1.0 power of the mean residence time, and 3) the (time‐average) steady‐state number of polymer particles produced is proportional to the 2.5 power of the emulsifier concentration, to the − 0.4 power of the initiator concentration and to the − 0.7 power of the mean residence time.","PeriodicalId":124648,"journal":{"name":"Polymer Reaction Engineering","volume":"28 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2003-12-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"127703696","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 3

Mathematical Modeling of Batch Emulsion Copolymerization Processes 间歇乳液共聚过程的数学建模

Polymer Reaction Engineering Pub Date : 2003-12-31 DOI: 10.1081/PRE-120026379

E. L. Casella, O. Araujo, R. Giudici

引用次数: 14

Industrial Process Monitoring of Polymerization and Spray Drying Processes 工业过程监测聚合和喷雾干燥过程

Polymer Reaction Engineering Pub Date : 2003-12-31 DOI: 10.1081/PRE-120026369

W. Hergeth, Christiane M. Jaeckle, M. Krell

引用次数: 30

Dynamic Modeling of Non‐equilibrium Latex Particle Morphology Development During Seeded Emulsion Polymerization 种子乳液聚合过程中非平衡乳胶颗粒形态发展的动态建模

Polymer Reaction Engineering Pub Date : 2003-12-31 DOI: 10.1081/PRE-120026365

O. Karlsson, J. Stubbs, R. Carrier, D. Sundberg

引用次数: 33

Semibatch Emulsion Polymerization of Methyl Methacrylate with a Neat Monomer Feed 甲基丙烯酸甲酯纯单体半间歇乳液聚合研究

Polymer Reaction Engineering Pub Date : 2003-12-31 DOI: 10.1081/PRE-120026371

S. Sajjadi, M. Yianneskis

{"title":"Semibatch Emulsion Polymerization of Methyl Methacrylate with a Neat Monomer Feed","authors":"S. Sajjadi, M. Yianneskis","doi":"10.1081/PRE-120026371","DOIUrl":"https://doi.org/10.1081/PRE-120026371","url":null,"abstract":"Semibatch emulsion polymerization of methyl methacrylate (MMA) with neat monomer feed in the presence of sodium lauryl sulphate as emulsifier and potassium persulphate as initiator was investigated. The effects of the monomer feed rate (R a ), the emulsifier concentration, and the monomer distribution ratio between the initial charge and feed on the kinetic features of MMA emulsion polymerization in a semibatch reactor were studied. Under monomer‐starved conditions particles did not undergo an appreciable growth during polymerization and as a result a large number of particles were formed. The number of particles increased significantly as R a decreased. The number of polymer particles formed under starved conditions showed an exponent of − 1.98 against R a , which is larger than the value of − 0.67 that is theoretically obtained for the styrene monomer. The average molecular weights decreased and the molecular weight distribution became narrower with decreasing R a . The steady state rate of polymerization (R pss ) was confined to the correlation of the type R pss ≈ R a when a high concentration of the emulsifier was used. The rate of polymerization under monomer‐starved conditions was found to depend on the size of polymer particles formed. The experimental results suggest that models, which can take account of more specified size‐dependent kinetic parameters, should be developed for prediction of kinetic behavior of MMA in semibatch reactors.","PeriodicalId":124648,"journal":{"name":"Polymer Reaction Engineering","volume":"48 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2003-12-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"131589695","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 49