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Author : Congling Quan
Publisher :
ISBN 13 :
Total Pages : 190 pages
Book Rating : 4.:/5 (621 download)
Download or read book High-temperature Free-radical Polymerization of N-butyl Acrylate written by Congling Quan and published by . This book was released on 2005 with total page 190 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Nazanin Moghadam Maragheh
Publisher :
ISBN 13 :
Total Pages : 312 pages
Book Rating : 4.:/5 (969 download)
Download or read book Computational Study of Chain Transfer Reactions in Self-Initiated High-Temperature Polymerization of Alkyl Acrylates written by Nazanin Moghadam Maragheh and published by . This book was released on 2015 with total page 312 pages. Available in PDF, EPUB and Kindle. Book excerpt: A better understanding of the kinetics of intermolecular chain transfer reactions, such as chain transfer to solvent, monomer and polymer, allows one to produce higher quality polymer resins. In this research project, kinetics of chain transfer to monomer (CTM), chain transfer to polymer (CTP), and chain transfer to solvent (CTS) reactions in self-initiated high-temperature homo-polymerization of alkyl acrylates (methyl, ethyl and n-butyl acrylate) were studied. Possible mechanisms of the chain transfer reactions were studied using density functional theory (DFT) calculations. Transition state theory was used to estimate rate constants of the reactions. Effects of live polymer chain length, type of mono-radical that initiated the live polymer chain, and type of live polymer chain radical (tertiary vs. secondary) on the energy barriers and rate constants of the involved reaction steps were investigated theoretically. The results indicated that abstractions of a hydrogen atom (by a live polymer chain) from the methyl group in methyl acrylate (MA), the methylene group in ethyl acrylate (EA), and methylene groups in n-butyl acrylate (n-BA) are the most likely mechanisms of CTM. Among all possible CTP reaction mechanisms, hydrogen atom abstraction from a tertiary carbon atom, which leads to the formation of a stable tertiary radical, was identified as the most favorable mechanism for CTP reaction in alkyl acrylates. The CTP reactivity of MA, EA, and n-BA was also compared; the difference in the end-substituent group (MA, EA, or n-BA) does not affect the kinetics of the CTP reactions remarkably. Tertiary hydrogens of dead polymers formed by disproportionation reactions are most likely to be transferred to live polymer chains in CTP reactions. Chain transfer reactions to several solvents such as butanol (polar, protic), methyl ethyl ketone (MEK) (polar, aprotic), and p-xylene (nonpolar) were studied theoretically. The estimated lower activation energies and higher rate constants of chain transfer to n-butanol compared to those of MEK and p-xylene are indicative of the higher CTS reactivity of n-butanol. Among n-butanol, sec-butanol, and tert-butanol, tert-butanol has the highest CTS energy barrier and the lowest rate constant. Polarizable continuum model (PCM) and conductor-like screening model (COSMO) solvation models were applied to explore chain transfer to n-butanol, MEK and p-xylene from polymer chains of MA, EA and n-BA. The type of mono-radical generated via self-initiation has little or no effect on the capability of MA, EA and n-BA live polymer chains to undergo chain transfer reactions. Energy barriers of the chain transfer to solvent reactions do not change significantly with the length of the live polymer chain. Before this work, although a general mechanism for chain transfer reactions had been presented, no specific mechanisms for different types of chain transfer reactions were proposed. Moreover, before this study it was inconclusive which dead polymer structure was most likely to provide the hydrogen atom during CTP reactions. A macroscopic first-principles mathematical model that represents a batch polymerization reactor in which spontaneous thermal free-radical polymerization of n-butyl acrylate takes place was developed. The model considered polymerization reactions that are most likely to occur. Reaction rate equations were derived using the method of moments. The model was used to gain a better understanding of the role of the monomer in spontaneous initiation of the polymerization. The monomer self-initiation reaction rate constant was estimated from batch-polymerization conversion-measurements at elevated temperatures (>100℗ðC). The rate constant was estimated to be 4.39E-15 M-1 L-1 at 413K, which is comparable with the value (1.04E-14 M-1 L-1) obtained via quantum chemical calculations.
Author : Michael Buback
Publisher : John Wiley & Sons
ISBN 13 : 3527610871
Total Pages : 270 pages
Book Rating : 4.5/5 (276 download)
Download or read book Radical Polymerization written by Michael Buback and published by John Wiley & Sons. This book was released on 2007-06-27 with total page 270 pages. Available in PDF, EPUB and Kindle. Book excerpt: This volume from the successful Macromolecular Symposia series presents the contributions from the IUPAC-sponsored International Symposium on "Radical Polymerization: Kinetics and Mechanism", held in Il Ciocco, Italy, in September, 2006. This was the fourth within the series of so-called SML conferences, which are the major scientific forum for addressing kinetic and mechanistic aspects of free-radical polymerization and controlled radical polymerization. SML IV again marked an important step forward toward the better understanding of the kinetics and mechanism of radical polymerization, which is extremely relevant for both conventional and controlled radical polymerization and for people in academia as well as in industry. Here, top international authors, such as K. Matyjaszewski, T. P. Davis and T. Fukuda, present their latest research. The five major themes covered were: Fundamentals of free-radical polymerization, heterogeneous polymerization, controlled radical polymerization, polymer reaction engineering, and polymer characterization.
Author : Didier Gigmes
Publisher : Royal Society of Chemistry
ISBN 13 : 1782620613
Total Pages : 512 pages
Book Rating : 4.7/5 (826 download)
Download or read book Nitroxide Mediated Polymerization written by Didier Gigmes and published by Royal Society of Chemistry. This book was released on 2016 with total page 512 pages. Available in PDF, EPUB and Kindle. Book excerpt: The first book dedicated to nitroxide-mediated polymerization and covers the history and development of NMP, as well as current techniques of academic and industrial interest.
Author : Masoud Soroush
Publisher : Elsevier
ISBN 13 : 0128159847
Total Pages : 384 pages
Book Rating : 4.1/5 (281 download)
Download or read book Computational Quantum Chemistry written by Masoud Soroush and published by Elsevier. This book was released on 2018-10-16 with total page 384 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational Quantum Chemistry: Insights into Polymerization Reactions consolidates extensive research results, couples them with computational quantum chemistry (CQC) methods applicable to polymerization reactions, and presents those results systematically. CQC has advanced polymer reaction engineering considerably for the past two decades. The book puts these advances into perspective. It also allows you to access the most up-to-date research and CQC methods applicable to polymerization reactions in a single volume. The content is rigorous yet accessible to graduate students as well as researchers who need a reference of state-of-the-art CQC methods with polymerization applications. Consolidates more than 10 years of theoretical polymerization reaction research currently scattered across journal articles Accessibly presents CQC methods applicable to polymerization reactions Provides researchers with a one-stop source of the latest theoretical developments in polymer reaction engineering
Author : Olivier Ouari
Publisher : Royal Society of Chemistry
ISBN 13 : 1788019660
Total Pages : 611 pages
Book Rating : 4.7/5 (88 download)
Download or read book Nitroxides written by Olivier Ouari and published by Royal Society of Chemistry. This book was released on 2021-05-13 with total page 611 pages. Available in PDF, EPUB and Kindle. Book excerpt: Nitroxides are versatile small organic molecules possessing a stabilised free radical. With their unpaired electron spin they display a unique reactivity towards various environmental factors, enabling a diverse range of applications. They have uses as synthetic tools, such as catalysts or building blocks; imaging agents and probes in biomedicine and materials science; for medicinal antioxidant applications; and in energy storage. Polynitroxides (polymers bearing pendant nitroxide sidechains) have been used in organic radical batteries, oxidation catalysts and in exchange reactions for constructing complex architectures. Chapters in this book cover the synthesis of nitroxides, EPR studies and magnetic resonance applications, physiochemical studies, and applications including in batteries, imaging and organic synthesis. With contributions from leaders in the field, Nitroxides will be of interest to graduate students and researchers across chemistry, physics, biology and materials science.
Author : Masoud Soroush
Publisher : MDPI
ISBN 13 : 303928813X
Total Pages : 320 pages
Book Rating : 4.0/5 (392 download)
Download or read book Computational Methods for Polymers written by Masoud Soroush and published by MDPI. This book was released on 2020-12-10 with total page 320 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book presents recent advances in computational methods for polymers. It covers multiscale modeling of polymers, polymerization reactions, and polymerization processes as well as control, monitoring, and estimation methods applied to polymerization processes. It presents theoretical insights gained from multiscale modeling validated with exprimental measurements. The book consolidates new computational tools and methods developed by academic researchers in this area and presents them systematically. The book is useful for graduate students, researchers, and process engineers and managers.
Author : Congling Quan
Publisher :
ISBN 13 :
Total Pages : pages
Book Rating : 4.:/5 (129 download)
Download or read book Modeling and Optimization of High-temperature (140-200°C) N-butyl Acrylate Polymerization written by Congling Quan and published by . This book was released on 2003 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Felix S. Rantow
Publisher :
ISBN 13 :
Total Pages : pages
Book Rating : 4.:/5 (129 download)
Download or read book Reaction Network Identification in High-temperature Polymerization of N-Butyl Acrylate written by Felix S. Rantow and published by . This book was released on 2005 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt:
Author : Michael Henson
Publisher : MDPI
ISBN 13 : 3038420700
Total Pages : 405 pages
Book Rating : 4.0/5 (384 download)
Download or read book Feature Papers written by Michael Henson and published by MDPI. This book was released on 2018-10-04 with total page 405 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book is a printed edition of the Special Issue "Feature Papers" that was published in Processes
Author : Robert G. Gilbert
Publisher :
ISBN 13 :
Total Pages : 392 pages
Book Rating : 4.3/5 (91 download)
Download or read book Emulsion Polymerization written by Robert G. Gilbert and published by . This book was released on 1995 with total page 392 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides a modern overview of the principles governing emulsion polymerization, a topic of both academic and industrial importance. The reader is provided with the mathematical, physical and technical tools to understand the mechanisms and physical chemistry of these systems, particularly the major advances of the last 15 years. The book describes the mechanisms that govern the various aspects of an emulsion polymerization, and how from appropriate experimental studies, the dominant mechanisms in a particular system may be deduced. From such deductions, the means are developed whereby the properties of the result of the emulsion polymerization can be quantitatively modelled and trends can be qualitatively understood and predicted. This book opens the way to the intelligent, knowledge-based design that is the future for improvements and innovations in products and processes from this important technology. Provides a thoroughly up-to-date overview of the principles and practices of emulsion polymerization Contains mathematical, physical, and technical tools which enable the reader to understand the mechanisms and physical chemistry used in the field Includes extensive exercises with model answers
Author : Christopher Barner-Kowollik
Publisher : John Wiley & Sons
ISBN 13 : 3527641831
Total Pages : 501 pages
Book Rating : 4.5/5 (276 download)
Download or read book Mass Spectrometry in Polymer Chemistry written by Christopher Barner-Kowollik and published by John Wiley & Sons. This book was released on 2012-01-27 with total page 501 pages. Available in PDF, EPUB and Kindle. Book excerpt: Combining an up-to-date insight into mass-spectrometric polymer analysis beyond MALDI with application details of the instrumentation, this is a balanced and thorough presentation of the most important and widely used mass-spectrometric methods. Written by the world's most proficient experts in the field, the book focuses on the latest developments, covering such technologies and applications as ionization protocols, tandem and liquid chromatography mass spectrometry, gas-phase ion-separation techniques and automated data processing. Chapters on sample preparation, polymer degradation and the usage of mass-spectrometric tools on an industrial scale round off the book. As a result, both entrants to the field and experienced researchers are able to choose the appropriate methods and instrumentations -- and to assess their respective strengths and limitations -- for the characterization of polymer compounds.
Author : Krzysztof Matyjaszewski
Publisher :
ISBN 13 :
Total Pages : 712 pages
Book Rating : 4.3/5 (91 download)
Download or read book Advances in Controlled/living Radical Polymerization written by Krzysztof Matyjaszewski and published by . This book was released on 2003 with total page 712 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Controlled/Living Radical Polymerization presents new developments in controlled/living radical polymerization in three areas: atom transfer radical polymerization (ATRP), nitroxide mediated polymerization (NMP), and reversible addition-fragmentation transfer (RAFT). This book also includes synthesis and characterization of many new materials.
Author : Wayne F. Reed
Publisher : John Wiley & Sons
ISBN 13 : 0470917385
Total Pages : 493 pages
Book Rating : 4.4/5 (79 download)
Download or read book Monitoring Polymerization Reactions written by Wayne F. Reed and published by John Wiley & Sons. This book was released on 2014-01-21 with total page 493 pages. Available in PDF, EPUB and Kindle. Book excerpt: Offers new strategies to optimize polymer reactions With contributions from leading macromolecular scientists and engineers, this book provides a practical guide to polymerization monitoring. It enables laboratory researchers to optimize polymer reactions by providing them with a better understanding of the underlying reaction kinetics and mechanisms. Moreover, it opens the door to improved industrial-scale reactions, including enhanced product quality and reduced harmful emissions. Monitoring Polymerization Reactions begins with a review of the basic elements of polymer reactions and their kinetics, including an overview of stimuli-responsive polymers. Next, it explains why certain polymer and reaction characteristics need to be monitored. The book then explores a variety of practical topics, including: Principles and applications of important polymer characterization tools, such as light scattering, gel permeation chromatography, calorimetry, rheology, and spectroscopy Automatic continuous online monitoring of polymerization (ACOMP) reactions, a flexible platform that enables characterization tools to be employed simultaneously during reactions in order to obtain a complete record of multiple reaction features Modeling of polymerization reactions and numerical approaches Applications that optimize the manufacture of industrially important polymers Throughout the book, the authors provide step-by-step strategies for implementation. In addition, ample use of case studies helps readers understand the benefits of various monitoring strategies and approaches, enabling them to choose the best one to match their needs. As new stimuli-responsive and "intelligent" polymers continue to be developed, the ability to monitor reactions will become increasingly important. With this book as their guide, polymer scientists and engineers can take full advantage of the latest monitoring strategies to optimize reactions in both the lab and the manufacturing plant.
Author :
Publisher : Academic Press
ISBN 13 : 0128215224
Total Pages : 350 pages
Book Rating : 4.1/5 (282 download)
Download or read book Advances in Polymer Reaction Engineering written by and published by Academic Press. This book was released on 2020-10-31 with total page 350 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Polymer Reaction Engineering, Volume 56 in the Advances in Chemical Engineering series is aimed at reporting the latest advances in the field of polymer synthesis. Chapters in this new release include Polymer reaction engineering and composition control in free radical copolymers, Reactor control and on-line process monitoring in free radical emulsion polymerization, Exploiting pulsed laser polymerization to retrieve intrinsic kinetic parameters in radical polymerization, 3D printing in chemical engineering, Renewable source monomers in waterborne polymer dispersions, Importance of models and digitalization in Polymer Reaction Engineering, Recent Advances in Modelling of Radical Polymerization, and more. Covers recent advances in the control and monitoring of polymerization processes and in reactor configurations Provides modelling of polymerization reactions and up-to-date approaches to estimate reaction rate constants Includes authoritative opinions from experts in academia and industry
Author : Michael Buback
Publisher : Wiley-VCH
ISBN 13 :
Total Pages : 328 pages
Book Rating : 4.F/5 ( download)
Download or read book Free-Radical Polymerization: Kinetics and Mechanism written by Michael Buback and published by Wiley-VCH. This book was released on 2002-09-09 with total page 328 pages. Available in PDF, EPUB and Kindle. Book excerpt: In the past 15 years, free-radical polymerization has undergone a dramatic revitalization. "Living polymerization," ATRP (atomic transfer radical polymerization) and RAFT (reversible addition-fragmentation chain-transfer) polymerization have come to dominate research in this area. Powerful experimental and analytical techniques are now used to probe the basic kinetics and mechanisms of the processes involved. High degrees of control over physical and chemical properties have lead to more efficient polymer production and new products. The state of the art in all these areas was presented and discussed at the IUPAC-sponsored "International Symposium on Free-Radical Polymerization: Kinetics and Mechanism" (SML '01) held in IL Ciocco, Italy, in June 2001. This volume of Macromolecular Symposia presents an excellent overview of modern research in free-radical polymerization.
Author : Susheel Kalia
Publisher : Springer
ISBN 13 : 3319135937
Total Pages : 390 pages
Book Rating : 4.3/5 (191 download)
Download or read book Organic-Inorganic Hybrid Nanomaterials written by Susheel Kalia and published by Springer. This book was released on 2014-12-04 with total page 390 pages. Available in PDF, EPUB and Kindle. Book excerpt: Advances in Polymer Science enjoys a longstanding tradition and good reputation in its community. Each volume is dedicated to a current topic, and each review critically surveys one aspect of that topic, to place it within the context of the volume. The volumes typically summarize the significant developments of the last 5 to 10 years and discuss them critically, presenting selected examples, explaining and illustrating the important principles, and bringing together many important references of primary literature. On that basis, future research directions in the area can be discussed. Advances in Polymer Science volumes thus are important references for every polymer scientist, as well as for other scientists interested in polymer science - as an introduction to a neighboring field, or as a compilation of detailed information for the specialist.
