Modeling & Simulation Of Polymerization Reaction, Process, Reactor

Modeling & Simulation Of Polymerization Reaction, Process, Reactor
Author: Dharmesh Hansora
Publisher: LAP Lambert Academic Publishing
Total Pages: 228
Release: 2012
Genre:
ISBN: 9783659292460

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Polymerization Reaction Engineering is used to understand how the reaction mechanism, the physical transport processes reactor, configuration and reactor operating conditions that affect the macromolecular architecture as well as the morphological properties of the polymer product. By use of modeling methodology, these mathematical models can be classified into Micro Scale kinetic models, Meso Scale physical, transport and thermodynamic models and Macro Scale dynamic reactor ones. These models are used to achieve goals like production cost reductions and more stringent "Polymer Quality" requirements. The Polymerization process of 1, 3 Butadiene has been modeled by Zeigler-Natta Polymerization (ZNP) reaction mechanism. The efficacy of models has been tested by comparing the predicted results on MW and MWD with those available in the published literature. Mechanistic models for Batch & CSTRs in cascade are developed. These models are represented in the mathematical form and simulated by using Solver in Excel Spreadsheet Software here. The results of simulations performed from developed model in conjunction with the reported experimental data for various catalysts are discussed.

Step-Growth Polymerization Process Modeling and Product Design

Step-Growth Polymerization Process Modeling and Product Design
Author: Kevin Seavey
Publisher: John Wiley & Sons
Total Pages: 747
Release: 2009-04-22
Genre: Technology & Engineering
ISBN: 9780470292495

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Understand quantitative model step-growth polymerization plans and how to predict properties of the product polymer with the essential information in Step-Growth Polymerization Process Modeling and Product Design. If you want to learn how to simulate step-growth polymerization processes using commercial software and seek an in-depth, quantitative understanding of how to develop, use, and deploy these simulations, consult this must-have guide. The book focuses on quantitative relationships between key process input variables (KPIVs) and key process output variables (KPOVs), and the integrated modeling of an entire polymer manufacturing train.

Control of Polymerization Reactors

Control of Polymerization Reactors
Author: Joseph Schork
Publisher: Routledge
Total Pages: 378
Release: 2017-09-20
Genre: Science
ISBN: 1351457934

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This reference and text provides an in-depth description of developments in control techniques and their application to polymerization reactors and offers important introductory background information on polymerization reaction engineering.;Discussing modelling, identification, linear, nonlinear and multivariable schemes, Control of Polymerization Reactors: presents all available techniques that can be used to control reactors properly for optimal performance; shows how to manipulate pivotal variables that affect reactor control; examines methods for deriving dynamic process models to improve reactor efficiency; reviews reactor control problems and points out end-use properties; supplies methods for measuring process variables, and ways to estimate variables that can't be measured; and explains how single-input, single-output (SISO) strategies can be effectively used for control.;Filled with illustrative examples to clarify concepts, including more than 730 figures, tables and equations, Control of Polymerization Reactors is intended for use as a reference for chemical, process development, process design, research and development, control systems, and polymer engineers; and polymer chemists and physicists; as well as a text for upper-level undergraduate and graduate students in polymerization reactor control courses.

Modeling, Simulation, Dynamic Optimization and Control of a Semibatch Emulsion Polymerization Process

Modeling, Simulation, Dynamic Optimization and Control of a Semibatch Emulsion Polymerization Process
Author: Iván-Dario Gil
Publisher:
Total Pages: 0
Release: 2014
Genre:
ISBN:

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In this work, modeling, simulation, dynamic optimization and nonlinear control of an industrial emulsion polymerization process to produce poly-vinyl acetate (PVAc) are proposed. The reaction is modeled as a two-phase system composed of an aqueous phase and a particle phase. A detailed model is used to calculate the weight average molecular weight, the number average molecular weight and the dispersity. The moments of the growing and dead chains are used to represent the state of the polymer and to calculate the molecular weight distribution (MWD). The case study corresponds to an industrial reactor operated at a chemical company in Bogotá. An industrial scale reactor (11 m3 of capacity) is simulated where a semi-batch emulsion polymerization reaction of vinyl acetate is performed. Dynamic optimization problem is solved directly using a Nonlinear Programming solver. Integration of differential equations is made using Runge-Kutta method. Three different optimization problems are solved from the more simplistic (only one control variable: reactor temperature) to the more complex (three control variables : reactor temperature, initiator flow rate and monomer flow rate) in order to minimize the reaction time. A reduction of 25% of the batch time is achieved with respect to the normal operating conditions applied at the company. The results show that is possible to minimize the reaction time while some polymer desired qualities (conversion, molecular weight and solids content) satisfy the defined constraints. A nonlinear geometric control technique by using input/output linearization is adapted to the reactor temperature control. An extended Kalman filter (EKF) is implemented to estimate unmeasured states and it is tested in different cases including a robustness study where model errors are introduced to verify its good performance. After verification of controller performance, some process changes were proposed in order to improve process productivity and polymer quality. Finally, the optimal temperature profile and optimal feed policies of the monomer and initiator, obtained in a dynamic optimization step, are used to provide the optimal set points for the nonlinear control. The results show that the nonlinear controller designed here is appropriate to follow the optimal temperature trajectories calculated previously.

Modeling of Chemical Kinetics and Reactor Design

Modeling of Chemical Kinetics and Reactor Design
Author: A. Kayode Coker
Publisher: Gulf Professional Publishing
Total Pages: 1132
Release: 2001-07-26
Genre: Science
ISBN: 9780884154815

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This reference conveys a basic understanding of chemical reactor design methodologies that incorporate both control and hazard analysis. It demonstrates how to select the best reactor for any particular chemical reaction, and how to estimate its size to determine the best operating conditions.

Adaptive Method of Lines

Adaptive Method of Lines
Author: A, Vande Wouwer
Publisher: CRC Press
Total Pages: 435
Release: 2001-04-18
Genre: Mathematics
ISBN: 1420035614

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The general Method of Lines (MOL) procedure provides a flexible format for the solution of all the major classes of partial differential equations (PDEs) and is particularly well suited to evolutionary, nonlinear wave PDEs. Despite its utility, however, there are relatively few texts that explore it at a more advanced level and reflect the method's

Numerical Modeling and Simulation of Polymerization Reactions in Coiled Flow Inverters

Numerical Modeling and Simulation of Polymerization Reactions in Coiled Flow Inverters
Author: Dhiraj Kumar Garg
Publisher:
Total Pages: 0
Release: 2014
Genre:
ISBN:

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This thesis aimed at improving the modeling and simulation of free radical polymerization (FRP) in batch as well as in flow reactors. A generalized explicit analytical solution (AS) was obtained in case of variable volume, bulk/solution polymerization, homogeneous and isothermal batch reactor. The reaction steps included initiation, propagation, transfer to monomer, transfer to solvent, transfer to chain transfer agent (CTA), termination by combination and disproportionation. Different models of gel, glass and cage effects were also implemented explicitly. AS was validated against numerical solutions as well as published experimental data and was found in good agreement. Furthermore, its applicability was extended to conditions for which AS was not derived, i.e. non-isothermal conditions. The versatility and flexibility of AS over the complete range of monomer conversion were thus demonstrated. Then, to broaden its applications range even more, AS was used in CFD simulations. A new and simple transformation was proposed to make kinetic rate coefficients dimensionless in terms of concentration. This enabled chemical data to be fed in molar form to CFD modeling. It also enabled easy coding and debugging by keeping the original form of generation terms intact. The results were found to be improved after validation against experimental data. This transformation was then used for evaluating three tubula microreactor geometries, namely straight tube reactor (STR), coiled tube reactor (CTR) and coil flow inverter reactor (CFIR), under different feed conditions (unmixed or perfectly mixed) at very low Reynolds numbers (

Modeling and Simulation in Polymer Reaction Engineering

Modeling and Simulation in Polymer Reaction Engineering
Author: Klaus-Dieter Hungenberg
Publisher: John Wiley & Sons
Total Pages: 302
Release: 2018-05-29
Genre: Technology & Engineering
ISBN: 3527338187

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Introducing a unique, modular approach to modeling polymerization reactions, this useful book will enable practitioners - chemists and engineers alike - to set up and structure their own models for simulation software like Predici®, C++, MatLab® or others. The generic modules are exemplified for concrete situations for various reactor types and reaction mechanisms and allow readers to quickly find their own point of interest - a highly useful information source for polymer engineers and researchers in industry and academia.

Polymer Reactor Modeling, Design and Monitoring

Polymer Reactor Modeling, Design and Monitoring
Author: Masoud Soroush
Publisher: MDPI
Total Pages: 1
Release: 2018-09-27
Genre: Science
ISBN: 3038422541

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This book is a printed edition of the Special Issue "Polymer Modeling, Control and Monitoring" that was published in Processes