Theory Of Block Polymer Self Assembly

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Theory Of Block Polymer Self Assembly

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Author : Benjamin R. Magruder
language : en
Publisher: American Chemical Society
Release Date : 2024-03-13

Theory Of Block Polymer Self Assembly written by Benjamin R. Magruder and has been published by American Chemical Society this book supported file pdf, txt, epub, kindle and other format this book has been release on 2024-03-13 with Science categories.

This primer introduces the theory of self-assembly of block polymers, most notably self-consistent field theory (SCFT). Block polymer self-assembly is a fascinating and highly interdisciplinary topic. This primer can be read at several levels, depending on what readers want to get out of it. Readers who want an overview of self-assembly in block polymer and what SCFT says about the process can read Chapters 1-3 and skip to Chapter 7 to see the open questions. If the reader is further interested in the output of SCFT calculations but not how those outputs are generated, they should read Chapter 6 as well. But if the reader wants to learn how to do the SCFT calculations themselves, Chapters 4 and 5 offer an accessible introduction to the theory and numerical methods, providing an excellent entry point into the literature. This primer includes data that the authors have computed using SCFT. All calculations use the open-source software package Polymer Self-Consistent Field (PSCF), developed by David Morse at the University of Minnesota. Take breaks from reading to watch ten “Insider Q&A” videos included throughout, which offer additional insight from experts in the field, such as An-Chang Shi, Chinedum O. Osuji, Frank S. Bates, Christopher M. Bates, Glenn H. Fredrickson, and Lisa Hall. Furthermore, this primer includes multiple features to aid and enhance readers’ learning. “That’s a Wrap” summarizes key concepts at the end of each chapter, while “Read These Next” suggests references that may interest further reading. A pop-up glossary ensures readers have definitions as needed throughout the primer.

Amphiphilic Block Copolymers

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Author : P. Alexandridis
language : en
Publisher: Elsevier
Release Date : 2000-10-18

Amphiphilic Block Copolymers written by P. Alexandridis and has been published by Elsevier this book supported file pdf, txt, epub, kindle and other format this book has been release on 2000-10-18 with Science categories.

It is the belief of the editors of this book that the recognition of block copolymers as being amphiphilic molecules and sharing common features with other well-studied amphiphiles will prove beneficial to both the surfactant and the polymer communities. An aim of this book is to bridge the two communities and cross-fertilise the different fields. To this end, leading researchers in the field of amphiphilic block copolymer self-assembly, some having a background in surfactant chemistry, and others with polymer physics roots, have agreed to join forces and contribute to this book.The book consists of four entities. The first part discusses theoretical considerations behind the block copolymer self-assembly in solution and in the melt. The second part provides case studies of self-assembly in different classes of block copolymers (e.g., polyethers, polyelectrolytes) and in different environments (e.g., in water, in non-aqueous solvents, or in the absence of solvents). The third part presents experimental tools, ranging from static (e.g., small angle neutron scattering) to dynamic (e.g., rheology), which can prove valuable in the characterization of block copolymer self-assemblies. The fourth part offers a sampling of current applications of block copolymers in, e.g., formulations, pharmaceutics, and separations, applications which are based on the unique self-assembly properties of block copolymers.

Block Copolymers In Solution

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Author : Ian W. Hamley
language : en
Publisher: John Wiley & Sons
Release Date : 2005-12-13

Block Copolymers In Solution written by Ian W. Hamley and has been published by John Wiley & Sons this book supported file pdf, txt, epub, kindle and other format this book has been release on 2005-12-13 with Technology & Engineering categories.

This unique text discusses the solution self-assembly of block copolymers and covers all aspects from basic physical chemistry to applications in soft nanotechnology. Recent advances have enabled the preparation of new materials with novel self-assembling structures, functionality and responsiveness and there have also been concomitant advances in theory and modelling. The present text covers the principles of self-assembly in both dilute and concentrated solution, for example micellization and mesophase formation, etc., in chapters 2 and 3 respectively. Chapter 4 covers polyelectrolyte block copolymers - these materials are attracting significant attention from researchers and a solid basis for understanding their physical chemistry is emerging, and this is discussed. The next chapter discusses adsorption of block copolymers from solution at liquid and solid interfaces. The concluding chapter presents a discussion of selected applications, focussing on several important new concepts. The book is aimed at researchers in polymer science as well as industrial scientists involved in the polymer and coatings industries. It will also be of interest to scientists working in soft matter self-assembly and self-organizing polymers.

Modeling Self Assembly And Structure Property Relationships In Block Copolymers

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Author : Manas Ravindra Shah
language : en
Publisher:
Release Date : 2009

Modeling Self Assembly And Structure Property Relationships In Block Copolymers written by Manas Ravindra Shah and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2009 with categories.

Block copolymers have been subject of tremendous research interest owing to their capability of undergoing self-assembly which allows them to tailor their electrical, optical, and mechanical properties. Statistical mechanics of flexible block copolymers is well understood. However, there are many unresolved issues with confinement of block copolymers as well as structure formation in block copolymers having non-flexible polymer blocks. We develop mean field theory models to address the issues arising in thermodynamics of such complex block copolymers. Also, we develop theoretical formalisms to understand the link between morphology and macroscopic properties in these block copolymers. We study the stability and ordering in thin films of flexible diblock copolymer in the presence of compressible solvent using a combined polymer mean field theory and lattice gas model for binary fluid mixtures. We utilize mean field theory model to understand the self-assembly behavior in side-chain liquid crystalline block copolymers which involve interplay between microphase separation and liquid crystalline ordering of side chain mesogenic units. We extend the field theoretic models for block copolymer to account for self-assembly in semicrystalline block copolymers. The semicrystalline chain is modeled as a semiflexible chain having non-bonded attractions between parallel bonds. We characterize the structure formation in such block copolymers as a function of the rigidity of the semicrystalline chain. Then we extend the formalism to study semicrystalline triblock and pentablock copolymers and evaluate bridging fractions in different sequences of semicrystalline multiblock copolymers. Rod-coil block copolymers have a flexible polymer covalently linked to rigid polymer. Such polymers have potential applications as organic LEDs and photovoltaic devices. We study the self-assembly of such block copolymer under confinement. To make these block copolymers viable as photovoltaic devices, we performed the photovoltaic modeling of devices based on self-assembly of block copolymers. We characterize the interplay between self-assembly and anisotropy of charge transport (arising due to rigid polymer chains) in determining the eventual photovoltaic properties.

Introduction To Block Copolymer Physics

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Author : An-Chang Shi
language : en
Publisher: CRC Press
Release Date : 2019-01-15

Introduction To Block Copolymer Physics written by An-Chang Shi and has been published by CRC Press this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019-01-15 with categories.

Block copolymers (macromolecules of two or more chemically distinct blocks) exhibit rich phase behavior, which has made them attractive for the design of novel polymer materials as well as for studies of self-assembly. This book provides a coherent, single source for the theoretical understanding of block copolymer self-assembly, and an introduction to the theory of phases and phase transitions in soft matter. It emphasizes self-consistent field theory, which provides a semi-quantitative description of the phase behavior of block copolymer melts and blends, while also surveying other approaches. The author also discusses technological applications and numerical methods.

Block Copolymer Self Assembly A Computational Approach Towards Novel Morphologies

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Author : Karim Raafat Gadelrab
language : en
Publisher:
Release Date : 2019

Block Copolymer Self Assembly A Computational Approach Towards Novel Morphologies written by Karim Raafat Gadelrab and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2019 with categories.

Spontaneous self-assembly of materials is a phenomenon exhibited by different molecular systems. Among many, Block copolymers (BCPs) proved to be particularly interesting due to their ability to microphase separate into periodic domains. Nonetheless, the rising need for arbitrary, complex, 3D nanoscale morphology shows that what is commonly achievable is quite limited. Expanding the range of BCPs morphologies could be attained through the implementation of a host of strategies that could be used concurrently. Using directed self-assembly (DSA), a sphere forming BCP was assembled in a randomly displaced post template to study system resilience towards defect creation. Template shear-like distortion seemed to govern local defect generation. Defect clusters with symmetries compatible with that of the BCP showed enhanced stability. Using 44 and 32434 Archimedean tiling templates that are incompatible with BCP six-fold symmetry created low symmetry patterns with an emergent behavior dependent on pattern size and shape. A variation of DSA is studied using modulated substrates. Layer-by-layer deposition of cylinder forming BCPs was investigated. Self-consistent field theory (SCFT) and strong segregation theory SST were employed to provide the understanding and the conditions under which particular orientations of consecutive layers were produced. Furthermore, deep functionalized trenches were employed to create vertically standing high-[chi] BCP structures. Changing annealing conditions for a self-assembled lamellar structure evolved the assembled pattern to a tubular morphology that is non-native to diblock copolymers. A rather fundamental but challenging strategy to go beyond the standard motifs common to BCPs is to synthesize multiblock molecules with an expanded design space. Triblock copolymers produced bilayer perforated lamellar morphology. SCFT analysis showed a large window of stability of such structures in thin films. In addition, a model for bottlebrush BCPs (BBCPs) was constructed to investigate the characteristics of BBCPs self-assembly. Pre-stacked diblock sidechains showed improved microphase separation while providing domain spacing relevant to lithography applications. A rich phase diagram was constructed at different block concentrations. The ability to explore new strategies to discover potential equilibrium morphologies in BCPs is supported by strong numerical modeling and simulations efforts. Accelerating SCFT performance would greatly benefit BCP phase discovery. Preliminary work discussed the first attempt to Neural Network (NN) assisted SCFT. The use of NN was able to cut on the required calculations steps to reach equilibrium morphology, demonstrating accelerated calculation, and escaping trapped states, with no effect on final structure.

Modeling And Theoretical Design Methods For Directed Self Assembly Of Thin Film Block Copolymer Systems

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Author : Adam Floyd Hannon
language : en
Publisher:
Release Date : 2014

Modeling And Theoretical Design Methods For Directed Self Assembly Of Thin Film Block Copolymer Systems written by Adam Floyd Hannon and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2014 with categories.

Block copolymers (BCPs) have become a highly studied material for lithographic applications due to their ability to self-assemble into complex periodic patterns with feature resolutions ranging from a few to 100s nm. BCPs form a wide variety of patterns due the combination of their enthalpic interactions promoting immiscibility between the blocks and the bonding constraint through their chain topology. The morphologies formed can be tailored through a directed self-assembly (DSA) process using chemical or topographical templates to achieve a desired thin film pattern. This method combines the traditional top-down lithographic methods with the bottom-up self-assembly process to obtain greater control over long range order, the local morphology, and overall throughput of the patterns produced. This work looks at key modeling challenges in optimizing BCP DSA to achieve precision morphology control, reproducibility, and defect control. Modeling techniques based on field theoretic simulations are used to both characterize and predict the morphological behavior of a variety of BCPs under a variety of processing conditions including solvent annealing and DSA under topographical boundary conditions. These methods aid experimental studies by saving time in performing experiments over wide parameter spaces as well as elucidating information that may not be available by current experimental techniques. Both forward simulation approaches are studied where parameters are varied over a wide range with phase diagrams of potential morphologies characterized and inverse design approaches where given target patterns are taken as simulation input and required conditions to produce those patterns are outputted from the simulation for experimental testing. The studies ultimately help identify the key control parameters in BCP DSA and enable a vast array of possible utility in the field.

Block Copolymer Self Assembly Homopolymer Additives And Multiple Length Scales

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Author : Tetyana Romanivna Klymko
language : en
Publisher:
Release Date : 2008

Block Copolymer Self Assembly Homopolymer Additives And Multiple Length Scales written by Tetyana Romanivna Klymko and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2008 with categories.

Theory Of Self Assembly Of Block Copolymers

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Author : Chien-Yueh Huang
language : en
Publisher:
Release Date : 1997

Theory Of Self Assembly Of Block Copolymers written by Chien-Yueh Huang and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 1997 with Block copolymers categories.

Theoretical Characterization Of Block Copolymer Blends For Applications In Directed Self Assembly

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Author : Darin Q. Pike
language : en
Publisher:
Release Date : 2011

Theoretical Characterization Of Block Copolymer Blends For Applications In Directed Self Assembly written by Darin Q. Pike and has been published by this book supported file pdf, txt, epub, kindle and other format this book has been release on 2011 with categories.