Download or read book Computational Modeling of Polymers written by Jozef Bicerano and published by CRC Press. This book was released on 1992-03-17 with total page 672 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Mechanics of Solid Polymers written by Jorgen S Bergstrom and published by William Andrew. This book was released on 2015-07-11 with total page 524 pages. Available in PDF, EPUB and Kindle. Book excerpt: Very few polymer mechanics problems are solved with only pen and paper today, and virtually all academic research and industrial work relies heavily on finite element simulations and specialized computer software. Introducing and demonstrating the utility of computational tools and simulations, Mechanics of Solid Polymers provides a modern view of how solid polymers behave, how they can be experimentally characterized, and how to predict their behavior in different load environments. Reflecting the significant progress made in the understanding of polymer behaviour over the last two decades, this book will discuss recent developments and compare them to classical theories. The book shows how best to make use of commercially available finite element software to solve polymer mechanics problems, introducing readers to the current state of the art in predicting failure using a combination of experiment and computational techniques. Case studies and example Matlab code are also included. As industry and academia are increasingly reliant on advanced computational mechanics software to implement sophisticated constitutive models – and authoritative information is hard to find in one place - this book provides engineers with what they need to know to make best use of the technology available. Helps professionals deploy the latest experimental polymer testing methods to assess suitability for applications Discusses material models for different polymer types Shows how to best make use of available finite element software to model polymer behaviour, and includes case studies and example code to help engineers and researchers apply it to their work
Download or read book Computational Modeling of Polymer Composites written by Samit Roy and published by CRC Press. This book was released on 2013-09-05 with total page 296 pages. Available in PDF, EPUB and Kindle. Book excerpt: This book provides a better understanding of the theories associated with finite element models of elastic and viscoelastic response of polymers and polymer composites. It covers computational modeling and life-prediction of polymers and polymeric composites in aggressive environments. It begins with a review of mathematical preliminaries, equations of anisotropic elasticity, and then presents finite element analysis of viscoelasticity and the diffusion process in polymers and polymeric composites. The book provides a reference for engineers and scientists and can be used as a textbook in graduate courses.
Download or read book Modeling and Simulation in Polymers written by Purushottam D. Gujrati and published by John Wiley & Sons. This book was released on 2010-03-30 with total page 564 pages. Available in PDF, EPUB and Kindle. Book excerpt: Filling a gap in the literature and all set to become the standard in this field, this monograph begins with a look at computational viscoelastic fluid mechanics and studies of turbulent flows of dilute polymer solutions. It then goes on discuss simulations of nanocomposites, polymerization kinetics, computational approaches for polymers and modeling polyelectrolytes. Further sections deal with tire optimization, irreversible phenomena in polymers, the hydrodynamics of artificial and bacterial flagella as well as modeling and simulation in liquid crystals. The result is invaluable reading for polymer and theoretical chemists, chemists in industry, materials scientists and plastics technologists.
Download or read book Computational Materials Science of Polymers written by Andreĭ Aleksandrovich Askadskiĭ and published by Cambridge Int Science Publishing. This book was released on 2003 with total page 702 pages. Available in PDF, EPUB and Kindle. Book excerpt: Annotation Methods of quantitative analysis of the effect of the chemical structure of linear and network polymers on their properties, computer synthesis of polymers with specific physical properties.
Download or read book Computational Modeling of Tethered and Entangled Polymers written by Amit Kushwaha and published by . This book was released on 2012 with total page pages. Available in PDF, EPUB and Kindle. Book excerpt: In the first part of the thesis, we study the dynamics of a dilute polymer in shear flow. We use Brownian dynamics simulations to examine how the shear dynamics of a polymer is affected as one changes the flexibility--moving from the long flexible polymers, consisting of multiple Kuhn-lengths, to small rod-like semiflexible polymers with sub-Kuhn lengths. Using our simulations, we reproduce the experimental data from both Guihua et al. (2011) and Harasim et al. (2012), spanning the flexible to the stiff polymer regime. We use these simulations to examine the stochastic nature of tumbling dynamics and relate it to the mean fractional extension in free shear flow. We show an interesting contrast between the extensional behavior of flexible and stiff polymers in free shear flow, wherein the former's extension increases with the increase in shear rate while the latter's decreases. In addition, we also study wall-tethered single molecules in shear flow and analyze the effect of stiffness on the scaling behavior of this different dynamical system. We ultimately compare the physical mechanisms of polymer extension between the free and wall-tethered polymer systems over the broad range of stiffness. In the second part of the thesis, we study the non-equilibrium dynamics of entangled polymers, which is still an open problem in polymer physics. Recent experimental data of the extensional viscosity of a monodisperse polystyrene melt (Bach et al., 2003) has revealed a failure in the available models for entangled polymers. The data shows an extensional viscosity thinning exponent of -0.5, in contrast to the value of -1 predicted by the standard models. Another failure of the standard theories lies in the prediction of the viscosity upturn. Unlike the predictions of the standard theories, Bach's experimental data shows no signs of an upturn in the extensional viscosity for extensional rates of the order of inverse Rouse time of a single chain. We introduce a mesoscopic model for simulating non-equilibrium dynamics of entangled polymers. This model is an extended version of a slip-link based model which was originally proposed by Masubuchi et al. (2001). Based on our extended slip-link simulations in planar extensional flow (Kushwaha et al. 2011), which predict a thinning exponent closer to -0.5 than -1, we propose an explanation for the thinning dynamics that relies on disentanglement caused by the flow. We also propose a dynamics for the upturn in the extensional viscosity curve based on the semiquantitative agreement of our simulations with the experiments of Bach et al. (2003), as neither our simulations nor Bach's experiments show any sign of an upturn at the extensional rates on the order of inverse Rouse time of a chain in entangled system. We also use our model to simulate the dynamics in shear flow, and show that the predictions compare well against both the experimental data of Jary et al. (1999) and the molecular dynamics simulations of Baig et al. (2010). Additionally, we show the possible extension of the model to mixed flows and report some simulations results.
Download or read book Theory and Modeling of Polymer Nanocomposites written by Valeriy V. Ginzburg and published by Springer Nature. This book was released on 2020-12-16 with total page 330 pages. Available in PDF, EPUB and Kindle. Book excerpt: This edited volume brings together the state of the art in polymer nanocomposite theory and modeling, creating a roadmap for scientists and engineers seeking to design new advanced materials. The book opens with a review of molecular and mesoscale models predicting equilibrium and non-equilibrium nanoscale structure of hybrid materials as a function of composition and, especially, filler types. Subsequent chapters cover the methods and analyses used for describing the dynamics of nanocomposites and their mechanical and physical properties. Dedicated chapters present best practices for predicting materials properties of practical interest, including thermal and electrical conductivity, optical properties, barrier properties, and flammability. Each chapter is written by leading academic and industrial scientists working in each respective sub-field. The overview of modeling methodology combined with detailed examples of property predictions for specific systems will make this book useful for academic and industrial practitioners alike.
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.
Download or read book Membrane Materials for Gas and Separation written by Yuri Yampolskii and published by John Wiley & Sons. This book was released on 2017-03-20 with total page 122 pages. Available in PDF, EPUB and Kindle. Book excerpt: Si containing polymers have been instrumental in the development of membrane gas separation practices since the early 1970s. Their function is to provide a selective barrier for different molecular species, where selection takes place either on the basis of size or on the basis of physical interactions or both. Combines membrane science, organosilicon chemistry, polymer science, materials science, and physical chemistry Only book to consider polymerization chemistry and synthesis of Si-containing polymers (both glassy and rubbery), and their role as membrane materials Membrane operations present environmental benefits such as reduced waste, and recovered/recycled valuable raw materials that are currently lost to fuel or to flares
Download or read book Simulation Methods for Polymers written by Michael Kotelyanskii and published by CRC Press. This book was released on 2004-03-01 with total page 572 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Computational Modeling of Intelligent Soft Matter written by Mostafa Baghani and published by Elsevier. This book was released on 2023-02-15 with total page 383 pages. Available in PDF, EPUB and Kindle. Book excerpt: Computational Modelling of Intelligent Soft Matter: Shape Memory Polymers and Hydrogels covers the multiphysics response of various smart polymer materials, such as temperature-sensitive shape memory polymers and temperature/ chemosensitive hydrogels. Several thermo–chemo-mechanical constitutive models for these smart polymers are outlined, and their real-world applications are highlighted. The numerical counterpart of each introduced constitutive model is also presented, empowering readers to solve practical problems requiring thermomechanical responses of these materials as well as design and analyze real-world structures made of them. Introduces constitutive models based on continuum thermodynamics for intelligent soft materials Presents calibration methods for identifying material model parameters as well as finite element implementation of the featured models Allows readers to solve practical problems requiring thermomechanical responses from these materials as well as the design and analysis of real-world structures made of them
Download or read book Computational Modeling of Polymer Melts and Composites written by Shaghayegh Khani and published by . This book was released on 2017 with total page 160 pages. Available in PDF, EPUB and Kindle. Book excerpt: Past decades have experienced a plethora of computational studies and with the recent advancements in the computing power; such studies can sometimes be even more efficient than running an experiment in a Laboratory. Computer simulations in molecular scales are performed to bridge the gap between theoretical studies and experiments. Dissipative Particle Dynamics (DPD) which is essentially a Coarse-Grained particle based technique is one of the most promising computer simulation methods in the meso-scales. In DPD each particle represents a group of atoms that are lumped together. Tuning the interaction potential between the particles allows capturing the chemical and physical properties of different types of systems. In this thesis, we first explain the fundamentals of the simulation method, then DPD is used to model polymers and composites. In the first chapter, we focus on the effect of the thermostating technique on proper reproduction of the dynamics of polymer melts. This chapter is followed by a pure DPD investigation of linear viscoelastic properties of polymer chains in entangled and un-entangled regimes. More specifically we will modify the model in order to capture the Rouse to Reptation transition due to the entanglements. A systematic study of the deterministic factors for morphology developments in mixtures of polymers with bare and chemically modified nano-rods is presented in chapter three. A three dimensional phase diagram that includes the effect of both enthalpic and entopic effects is mapped for nano-rod dispersion/aggregation in a polymer matrix. In chapter four, with an inspiration from nature we propose a model for capturing the stimuli responsive behavior of a specific polymer system. Thermo-responsive polymer composites are computationally modeled using an extension of DPD with energy conservation capability. The final chapter of the thesis presents a preliminary study on the interfacial arrangement of double-faced "Janus" particles. Interfacial arrangement of Janus particles is found to be crucial for modifying the morphology and properties of multi-phase systems. Thus in the last chapter of this thesis we briefly study the effect of interface properties and the particle characteristics on their interfacial self-assembly.
Download or read book Magneto Active Polymers written by Jean-Paul Pelteret and published by Walter de Gruyter GmbH & Co KG. This book was released on 2019-12-16 with total page 403 pages. Available in PDF, EPUB and Kindle. Book excerpt: From fabrication to testing and modeling this monograph covers all aspects on the materials class of magneto active polymers. The focus is on computational modeling of manufacturing processes and material parameters. As other smart materials, these elastomers have the ability to change electrical and mechanical properties upon application of magnetic fields. This allows for novel applications ranging from biomedical engineering to mechatronics.
Download or read book Computational Modeling of Polymerization and Degradation of Complex Polymer Systems written by Rebecca E. Harmon and published by . This book was released on 2022 with total page 0 pages. Available in PDF, EPUB and Kindle. Book excerpt:
Download or read book Mixed Matrix Membranes written by Clara Casado-Coterillo and published by MDPI. This book was released on 2019-12-16 with total page 146 pages. Available in PDF, EPUB and Kindle. Book excerpt: Mixed matrix membranes (MMMs) have attracted a large amount of interest in research laboratories worldwide in recent decades, motivated by the gap between a growing interest in developing novel mixed matrix membranes by various research groups and the lack of large-scale implementation. This Special Issue contains six publications dealing with the current opportunities and challenges of mixed matrix membranes development and applications to solve environmental and health challenges of the society of 21st century.
Download or read book Multiscale Modelling of Polymer Properties written by E. Perpète and published by Elsevier. This book was released on 2006-11-18 with total page 425 pages. Available in PDF, EPUB and Kindle. Book excerpt: Modelling in polymer materials science has experienced a dramatic growth in the last two decades. Advances in modeling methodologies together with rapid growth in computational power have made it possible to address increasingly complex questions both of a fundamental and of a more applied nature.Multiscale Modelling of Polymer Properties assembles research done on modeling of polymeric materials from a hierarchical point of view, in which several methods are combined in a multilevel approach to complex polymeric materials. Contributions from academic and industrial experts are organized in two parts: the first one addresses the methodological aspects while the second one focuses on specific applications. The book aims at comprehensively assessing the current state of the field, including the strengths and shortcomings of available modelling techniques, and at identifying future needs and trends. * Several levels of approximation to the field of polymer modelling; ranging from first-principles to purely macroscopic * Contributions from both academic and industrial experts with varying fields of expertise* Assesses current state of this emerging and rapidly growing field
Download or read book Dynamical Properties of Polymers written by and published by . This book was released on 2001 with total page 37 pages. Available in PDF, EPUB and Kindle. Book excerpt: The free volume distribution has been a qualitatively useful concept by which dynamical properties of polymers, such as the penetrant diffusion constant, viscosity, and glass transition temperature, could be correlated with static properties. In an effort to put this on a more quantitative footing, we define the free volume distribution as the probability of finding a spherical cavity of radius R in a polymer liquid. This is identical to the insertion probability in scaled particle theory, and is related to the chemical potential of hard spheres of radius R in a polymer in the Henry's law limit. We used the Polymer Reference Interaction Site Model (PRISM) theory to compute the free volume distribution of semiflexible polymer melts as a function of chain stiffness. Good agreement was found with the corresponding free volume distributions obtained from MD simulations. Surprisingly, the free volume distribution was insensitive to the chain stiffness, even though the single chain structure and the intermolecular pair correlation functions showed a strong dependence on chain stiffness. We also calculated the free volume distributions of polyisobutylene (PIB) and polyethylene (PE) at 298K and at elevated temperatures from PRISM theory. We found that PIB has more of its free volume distributed in smaller size cavities than for PE at the same temperature.
