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Author: Tony Rivard
Publisher:
ISBN:
Category : Polymerization
Languages : en
Pages : 0
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Book Description
Author: Tony Rivard
Publisher:
ISBN:
Category : Polymerization
Languages : en
Pages : 0
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Book Description
Author: Niousha Kazemi
Publisher:
ISBN:
Category :
Languages : en
Pages :
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Book Description
Studying multicomponent polymerizations is an active area of research and one of the most important aspects of such studies is to understand the underlying reaction kinetics. For multicomponent polymerization systems, such as copolymerizations and terpolymerizations, one cannot explain their characteristics only based on information for each individual monomer. In fact, characteristics of such systems depend strongly on the interaction between the various monomers (and their radicals), which is also the key factor in creating diverse polymeric products with versatile properties. One of the basic characteristics of a polymer for specific polymer applications is its polymer composition, influenced by the relative reactivities of the monomers present in the reaction medium. The relative reactivities of monomers are expressed as monomers reactivity ratios. Predicting and controlling polymer composition from the knowledge of monomer concentrations and their reactivity ratios is crucial to research in this field and the polymerization industry due to the clear impact of polymer chain composition on chemical, physical and mechanical properties. There are several discrepancies and ambiguities in the copolymerization literature regarding the true values of monomer reactivity ratios. This situation is due to the fact that most studies on the kinetics of copolymerization systems have been using statistically incorrect parameter estimation techniques, experimental trials conducted to collect the required data are only at low conversion, and more disturbingly, experimental trials are chosen completely randomly and away from any kind of optimal design of experiments for the purpose of estimating reactivity ratios. For terpolymerizations, despite the importance of the kinetics of terpolymerization reactions, limited research has been conducted to study and estimate ternary reactivity ratios, and mainly reactivity ratios from copolymerization pairs have been used as approximate values for ternary reactivity ratios. For larger multicomponent systems, there are no studies for estimating reactivity ratios whatsoever. This brings us to a currently observed paradox in the overall picture. There are numerous published experimental studies, with a wealth of experimental information for estimating reactivity ratios; however, almost all existing approaches in this field suffer from oversimplifications and/or violation of certain basic assumptions. The objective is to go through the details of this repeatedly misinterpreted research problem and set the record straight with the use of appropriate choices of data/information and rigorous statistical/numerical techniques. The parameter estimation technique used in this work is the error-in-variables-model (EVM), since this technique is one of the most general and advanced parameter estimation methods that takes into account the error in all variables involved (i.e., it does not distinguish between dependent and independent variables). This property matches the characteristics of the reactivity ratio estimation problem perfectly. In order to provide a general and complete procedure for estimating reliable reactivity ratios, we have put together the EVM framework that combines parameter estimation and optimal design of experiments, along with full conversion experimentation. The combination of these steps maximizes the amount of information in the experimental data and minimizes the amount of experimental workload. This framework is iterative and sequential and continues until satisfactory results for reactivity ratio estimates are obtained. With respect to copolymerization reactivity ratios, the EVM framework provides a concrete, superior approach after almost 70 years of fragmented attempts in this area. We have established the utilization of high conversion data for estimating reactivity ratios using a direct numerical integration approach that is not limited to any assumptions, and more importantly, the combination of the design of experiments and parameter estimation steps within the correct EVM context with a sequential scheme that can continue to improve the results for reactivity ratio estimates. All these features provide a solution that has never been implemented before in the literature for this problem, a solution that has a significant effect on the reliability of reactivity ratio estimation results. Compared to copolymerization systems, our knowledge about the behavior of ternary system with respect to the reactivity ratios of three monomers is at an extremely introductory level, and there are several questions that should be considered about the kinetics of ternary polymerization and the interaction between the three monomers. We have established the correct procedure for estimating ternary reactivity ratios using terpolymerization experimental data directly. Then, the design of experiments step from the EVM framework was implemented on terpolymerization systems, for the first time in the literature. Finally, the performance of the EVM framework on ternary reactivity ratio studies has been illustrated in detail and confirmed experimentally with a novel terpolymerization system of 2-Acrylamido-2-methyl-1-propanesulfonic acid (AMPS)/Acrylamide (AAm)/Acrylic acid (AAc) (a water-soluble terpolymer with applications in enhanced oil recovery and flocculation). Therefore, all the framework steps developed in this thesis for copolymerizations and terpolymerizations have been verified with both extensive simulation studies and experimental data (from the literature and our own).
Author: Niousha Kazemi
Publisher:
ISBN:
Category :
Languages : en
Pages : 212
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Book Description
Estimation of reactivity ratios from cumulative copolymerization models eliminates the difficulties associated with stopping reactions at low conversion, while one gains to study the full polymerization trajectory. The parameter estimation technique used in this research is the error-in-variables-model (EVM) method, which has been shown to be the most appropriate one for parameter estimation. Two cumulative model forms, the analytical integration of the differential composition equation or Meyer-Lowry model and the one resulting from the direct numerical integration of the differential composition equation, are employed. Our results show that using the cumulative models enhance reactivity ratio estimation results in copolymerizations. In particular, it is illustrated that the latter approach is a novel and more direct method of estimating the reactivity ratios through a step-by-step integration of the copolymerization composition ordinary differential equation. Due to the fact that multicomponent polymerizations have become increasingly important and having a good knowledge of polymerization parameters, among which reactivity ratios are the most important ones, would be very helpful, our research also looked at potential enhancements in reactivity ratio estimation for ternary systems by applying the estimation directly on terpolymerization experimental data (instead of dealing with three (often non-representative) binary copolymerizations). Conclusions from several case studies and experimental data sets illustrate that using the ternary system data is superior to previous practice. Another related issue in multicomponent polymerizations is the existence of an azeotropic point. The feed composition of such a point would result in polymer products with homogeneous composition. Predicting the existence and also calculating the composition of the azeotropic point can reduce the effort of running costly experiments, in that computational results can be used to narrow the experimental search space. Although many attempts have been made to clarify the issue of the existence of azeotropic points in multicomponent polymerization systems, this question is still open. We propose a general numerical approach that reliably finds any and all azeotropic compositions in multicomponent systems.
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Author: Zhou, Xiaoqin
Publisher: University of Waterloo
ISBN:
Category :
Languages : en
Pages : 290
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Author: Xiaoqin Zhou
Publisher:
ISBN:
Category :
Languages : en
Pages : 0
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Book Description
Author: Masoud Soroush
Publisher: MDPI
ISBN: 303928813X
Category : Technology & Engineering
Languages : en
Pages : 320
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Book Description
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: Cornel Hagiopol
Publisher: Springer Science & Business Media
ISBN: 1461541832
Category : Technology & Engineering
Languages : en
Pages : 238
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Book Description
Copolymerization is a very widely used industrial process, in fact the dominant process in macromolecular chemistry. With the advent of widespread computing power, this book will be very useful both to academic researchers in copolymerization and to researchers in industry concerned with the synthesis of polymers such as plastics, rubbers, chemical fibers, and paints. A disk with 15 computer programs accompanies the book.
Author: Graeme Moad
Publisher: Elsevier
ISBN: 0080442889
Category : Science
Languages : en
Pages : 667
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Book Description
This book commences with a general introduction outlining the basic concepts of radical polymerization. This is followed by a chapter on radical reactions that is intended to lay the theoretical ground-work for the succeeding chapters on initiation, propagation and termination.
Author: Michael Henson
Publisher: MDPI
ISBN: 3038420700
Category : Biochemistry
Languages : en
Pages : 405
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Book Description
This book is a printed edition of the Special Issue "Feature Papers" that was published in Processes
Author: Ignac Capek
Publisher: Elsevier
ISBN: 0444637559
Category : Science
Languages : en
Pages : 460
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Book Description
Nanocomposite Structures and Dispersions deals with the preparation of gelled, branched and crosslinked nanostructured polymers in the solution free radical polymerization and controlled/living radical polymerization and polymer and composite nanoparticles and nanostructures in disperse systems, the kinetics of direct and inverse disperse polymerizations (microemulsion, miniemulsion, emulsion, dispersion and suspension polymerization), the bottom-up approach building of functionalized nanoparticles, modelling of radical microemulsion polymerization, the characterization of traditional and non-traditional polymer dispersions, the collective properties of nanomaterials and their (bio)applications.This book is designed to bridge that gap and offers several unique features. First, it is written as an introduction to and survey of nanomaterials with a careful balance between basics and advanced topics. Thus, it is suitable for both beginners and experts, including graduate and upper-level undergraduate students. Second, it strives to balance the colloidal aspects of nanomaterials with physical principles. Third, the book highlights nanomaterial based architectures including composite or hybrid conjugates rather than only isolated nanoparticles. A number of ligands have been utilized to biodecorate the polymer and composite nanocarriers. Finally, the book provides an in depth discussion of important examples of reaction mechanisms of bottom-up building of functionalized nanoparticles, or potential applications of nanoarchitectures, ranging from physical to chemical and biological systems. - Free radical (controlled) polymerization, branching, crosslinking and gelling - Kinetics and mechanism of polymer nanoparticles formation - Modelling of radical polymerization in disperse systems - Polymer, composite and metal nanoparticles, nanostructures and nanomaterials - Smart nanostructures, biodecorated particles, nanocarriers and therapeutics
