The book series 'Polymer Nano-, Micro- and Macrocomposites' provides complete and comprehensive information on all important aspects of polymer composite research and development, including, but not limited to synthesis, filler modification, modeling, characterization as well as application and commercialization issues. Each book focuses on a particular topic and gives a balanced in-depth overview of the respective subfi eld of polymer composite science and its relation to industrial applications. With the books the readers obtain dedicated resources with information relevant to their research, thereby helping to save time and money. This book lays the theoretical foundations and emphasizes the close connection between theory and experiment to optimize models and real-life procedures for the various stages of polymer composite development. As such, it covers quantum-mechanical approaches to understand the chemical processes on an atomistic level, molecular mechanics simulations to predict the filler surface dynamics, finite element methods to investigate the macro-mechanical behavior, and thermodynamic models to assess the temperature stability. The whole is rounded off by a look at multiscale models that can simulate properties at various length and time scales in one go - and with predictive accuracy.

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.

Clay–Polymer Nanocomposites is a complete summary of the existing knowledge on this topic, from the basic concepts of synthesis and design to their applications in timely topics such as high-performance composites, environment, and energy issues. This book covers many aspects of synthesis such as in- situ polymerization within the interlamellar spacing of the clays or by reaction of pristine or pre-modified clays with reactive polymers and prepolymers. Indeed, nanocomposites can be prepared at industrial scale by melt mixing. Regardless the synthesis method, much is said in this book about the importance of theclay pre-modification step, which is demonstrated to be effective, on many occasions, in obtaining exfoliated nanocomposites. Clay–Polymer Nanocomposites reports the background to numerous characterization methods including solid state NMR, neutron scattering, diffraction and vibrational techniques as well as surface analytical methods, namely XPS, inverse gas chromatography and nitrogen adsorption to probe surface composition, wetting and textural/structural properties. Although not described in dedicated chapters, numerous X-ray diffraction patterns of clay–polymer nanocomposites and reference materials are displayed to account for the effects of intercalation and exfoliations of layered aluminosilicates. Finally, multiscale molecular simulation protocols are presenting for predicting morphologies and properties of nanostructured polymer systems with industrial relevance. As far as applications are concerned, Clay–Polymer Nanocomposites examines structural composites such as clay–epoxy and clay–biopolymers, the use of clay–polymer nanocomposites as reactive nanocomposite fillers, catalytic clay-(conductive) polymers and similar nanocomposites for the uptake of hazardous compounds or for controlled drug release, antibacterial applications, energy storage, and more. The most comprehensive coverage of the state of the art in clay–polymer nanocomposites, from synthesis and design to opportunities and applications Covers the various methods of characterization of clay–polymer nanocomposites - including spectroscopy, thermal analyses, and X-ray diffraction Includes a discussion of a range of application areas, including biomedicine, energy storage, biofouling resistance, and more

Polymer nanocomposite foams have attracted tremendous interests due to their multifunctional properties in addition to the inherited lightweight benefit of being foamed materials. Polymer nanocomposite foams using high performance polymer and bio-degradable polymer with carbon nanotubes were fabricated, and the effects of foam density and pore size on properties were characterized. Electrical conductivity modeling of polymer nanocomposite foams was conducted to investigate the effects of density and pore size. High performance polymer Polyetherimide (PEI) and multi-walled carbon nanotube (MWCNT) nanocomposites and their foams were fabricated using solvent-casting and solid-state foaming under different foaming conditions. Addition of MWCNTs has little effect on the storage modulus of the nanocomposites. High glass transition temperature of PEI matrix was maintained in the PEI/MWCNT nanocomposites and foams. Volume electrical conductivities of the nanocomposite foams beyond the percolation threshold were within the range of electro-dissipative materials according to the ANSI/ESD standard, which indicates that these lightweight materials could be suitable for electro-static dissipation applications with high temperature requirements. Biodegradable Polylactic acid (PLA) and MWCNT nanocomposites and their foams were fabricated using melt-blending and solid-state foaming under different foaming conditions. Addition of MWCNTs increased the storage modulus of PLA/MWCNT composites. By foaming, the glass transition temperature increased. Volume electrical conductivities of foams with MWCNT contents beyond the percolation threshold were again within the range of electro-dissipative materials according to the ANSI/ESD standard. The foams with a saturation pressure of 2 MPa and foaming temperature of 100 °C showed a weight reduction of 90% without the sacrifice of electrical conductivity. This result is promising in terms of multi-functionality and material saving. At a given CNT loading expressed as volume percent, the electrical conductivity increased significantly as porosity increased. A Monte-Carlo simulation model was developed to understand and predict the electrical conductivity of polymer/MWCNT nanocomposite foams. Two different foam morphologies were considered, designated as Case 1: volume expansion without nanotube rearrangement, and Case 2: nanotube aggregation in cell walls. Simulation results from unfoamed nanocomposites and the Case 1 model were validated with experimental data. The results were in good agreement with those from PEI/MWCNT nanocomposites and their foams, which had a similar microstructure as modeled in Case 1. Porosity effects on electrical conductivity were investigated for both Case 1 and Case 2 models. There was no porosity effect on electrical conductivity at a given volume percent CNT loading for Case 1. However, for Case 2 the electrical conductivity increased as porosity increased. Pore size effect was investigated using the Case 2 model. As pore size increased, the electrical conductivity also increased. Electrical conductivity prediction of foamed polymer nanocomposites using FEM was performed. The results obtained from FEM were compared with those from the Monte-Carlo simulation method. Feasibility of using FEM to predict the electrical conductivity of foamed polymer nanocomposites was discussed. FEM was able to predict the electrical conductivity of polymer nanocomposite foams represented by the Case 2 model with various porosities. However, it could not capture the pore size effect in the electrical conductivity prediction. The FEM simulation can be utilized to predict the electrical conductivity of Case 2 foams when the percolation threshold is determined by Monte-Carlo simulation to save the computational time. This has only been verified when the pore size is small in the range of a few micrometers.

A one-stop resource for researchers and developers alike, this book covers a plethora of nanocomposite properties and their enhancement mechanisms. With contributors from industry as well as academia, each chapter elucidates in detail the mechanisms to achieve a certain functionality of the polymer nanocomposite, such as improved biodegradability, increased chemical resistance and tribological performance. Special emphasis is laid on the interdependence of the factors that affect the nanocomposite properties such that readers obtain the information necessary to synthesize the polymer materials according to the requirements of their respective applications.

The use of polymer composites in various engineering applications has become state of the art. This multi-author volume provides a useful summary of updated knowledge on polymer composites in general, practically integrating experimental studies, theoretical analyses and computational modeling at different scales, i. e. , from nano- to macroscale. Detailed consideration is given to four major areas: structure and properties of polymer nanocomposites, characterization and modeling, processing and application of macrocomposites, and mechanical performance of macrocomposites. The idea to organize this volume arose from a very impressive workshop - The First International Workshop on Polymers and Composites at IVW Kaiserslautern: Invited Humboldt-Fellows and Distinguished Scientists, which was held on May 22-24,2003 at the University of Kaiserslautern, Germany. The contributing authors were invited to incorporate updated knowledge and developments into their individual chapters within a year after the workshop, which finally led to these excellent contributions. The success of this workshop was mainly sponsored by the German Alexander von Humboldt Foundation through a Sofia Kovalevskaja Award Program, financed by the Federal Ministry for Education and Research within the "Investment in the Future Program" of the German Government. In 2001, the Humboldt Foundation launched this new award program in order to offer outstanding young researchers throughout the world an opportunity to establish their own work-groups and to develop innovative research concepts virtually in Germany. One of the editors, Z.

Polymer nanocomposites can fulfill their potential use in engineering applications as researchers and engineers gain a better understanding of nanocomposites' modelling, production, and characterization methods. Recent polymer nanocomposite studies point out that existing modelling tools either require a significant amount of computational power or cannot capture experimental outcomes due to oversimplifications. This research mainly focuses on the development of a model for polymer nanocomposites to predict their elastic properties efficiently and accurately and to understand the parameters that have direct effects on the properties of the nanocomposites. The thesis also presents experimental work that involves development of an innovative additive manufacturing method and the detailed characterization of polymer nanocomposites. A novel model that consists of a three-phase Mori-Tanaka model coupled with the Monte-Carlo approach is developed to predict the elastic modulus of nanocomposites. As opposed to existing models, this model defines agglomerates and utilizes a machine learning tool to identify three phases of the proposed composite system from simulated dispersion or micrograph images. Three phases of the proposed composite system are defined as agglomerates, free particles (non-agglomerated particles), and matrix. The parameters that define these three phases and other parameters such as particle loading, orientation, aspect ratio, agglomerate property are systematically investigated to perform a sensitivity study on parameters of the developed model. This sensitivity study reveals that agglomeration tendency is highly dependent on particle dispersion and critical distance defined in the model. The sensitivity study also prove that the model is sufficiently general that it can be applied to various types of polymer nanocomposites to predict their properties. The model is verified with polyamide 6 (PA6) cellulose nanocrystals (CNC) nanocomposites that are produced using spin coating method. The proposed novel model and existing conventional model predictions are compared, and it is shown that the proposed model can follow the trend of experimental results much better than the conventional ones. Further, an innovative direct extrusion-based additive manufacturing technique is used for nanocomposite production and the experimental findings are again compared to that of model's predictions to see the applicability of the model in 3D printed nanocomposites. This production technique can be used for nanocomposite production in prototyping or customized engineering parts at a laboratory scale. It eliminates the filament production and use in extrusion-base additive manufacturing. CNC and PA12 are used to study the proposed direct additive manufacturing technique. CNC is dispersed and PA12 is dissolved in a common solvent and then cast on the silicone baking mate for drying. The cast mixture is turned into powder and then extruded using a small pellet extruder that is designed as 3D printing head to obtain nanocomposite extrudates. The extrudates are uniaxially tested and demonstrated great enhancement in their mechanical properties. Due to promising results, a commercial 3D printer is equipped with this extruder head and dog-bone PA12 nanocomposites prepared and uniaxially tested. While elastic modulus substantially increases, yield strength shows a slight improvement. A detailed TEM analysis is performed at various CNC loadings and the retrieved TEM images are analyzed to predict the elastic modulus of PA12 nanocomposites using the proposed model. A good agreement is observed between model predictions and experimental results. The result of this work shows, for the first time that, PA12 can be 3D printed with CNC, and our direct extrusion technique can be utilized for small batch productions in research laboratories.