Structure and thermodynamics of lattice polymers in bulk and at interfaces a comparison of Ornstein-Zernike-like approaches to Monte Carlo simulations by Rob Janssen

Cover of: Structure and thermodynamics of lattice polymers in bulk and at interfaces | Rob Janssen

Published by University of Eindhoven in Eindhoven .

Written in English

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Book details

StatementRob Janssen.
The Physical Object
Pagination226p.
Number of Pages226
ID Numbers
Open LibraryOL21376300M
ISBN 109038601387

Download Structure and thermodynamics of lattice polymers in bulk and at interfaces

To better understand the self-assembly of small molecules and nanoparticles adsorbed at interfaces, we have performed extensive Monte Carlo simulations of a simple lattice model based on the seven hard “tetrominoes”, connected shapes that occupy four lattice sites.

The equations of state of the pure fluids and all of the binary mixtures are determined over a wide range of Cited by: Interfaces in Materials: Atomic Structure, Thermodynamics and Kinetics of Solid-Vapor, Solid-Liquid and Solid-Solid Interfaces James M. Howe ISBN: LSER molecular descriptors of polymers for the prediction of properties in bulk phases and interfaces.

Abstract The central objective of this work is the presentation of a novel simple method for the characterization of polymers as regards their thermodynamic behavior in bulk Cited by: 6. More traditional polymer physics is presented in Chapters 4 and 6, where lattice techniques and random walk theory are applied to the structure of homogeneous polymers.

The model of lattice polymers with monomer structure has been used extensively in the context of the lattice cluster theory (LCT), a thermodynamic theory for polymer mixtures in the liquid state. to polymers, using the same machinery.

The lattice theory of polymer solutions is known as Flory-Huggins theory. In many ways, you will find this theory similar to the small-solute case, except that the statistics are a little more complicated given that a polymer is a connected entity.

Figure 1 shows a lattice model of a Size: KB. POLYMERS AND THERMODYNAMICS 57 The equilibrium condition of equality of chemical potentials is seen in the intercepts of the double tangent at 4>2 =: 0 and 4>2 1, representing 1'1 p.1/RT and 1'1 P,2/RT, respectively (p, = chemical potential).

From eq. (2) we deriveCited by: 4. The basic physics centers on the properties of quasi-two-dimensional systems embedded in the three-dimensional world, thus exhibiting phenomena that do not exist in bulk materials.

This approach is the basis behind the theoretical presentation of Statistical Thermodynamics of Surfaces, Interfaces, and Membranes. Thanks for contributing an answer to Physics Stack Exchange.

Please be sure to answer the question. Provide details and share your research. But avoid Asking for help, clarification, or responding to other answers. Making statements based on opinion; back them up with references or personal experience.

Use MathJax to format equations. The book begins with a review of the relevant aspects of the thermodynamics of bulk systems, followed by a description of the thermodynamic variables for surfaces and interfaces.

Important surface phenomena are detailed, including wetting, crystalline systems (including grain boundaries), interfaces between different phases, curved interfaces Cited by: 6. The optical behavior, solid state transition behavior, and rheology of polymer blends are also discussed.

This book is organized into 10 chapters and begins with an overview of polymer blends, with emphasis on terminology and the effect of molecular weight on the thermodynamics of polymer blends as well as phase equilibria and transitions.

The third edition of this excellent textbook for advanced students in material science, chemistry, physics, biology, engineering, or for researchers needing background knowledge in surface and interface science. The general yet comprehensive introduction to this field focuses on the essential concepts rather than specific details, on intuitive understanding rather than learning.

Polymer Solution Thermodynamics 5. Polymer Blends Flory-Huggins Model Up to this point we have considered polymer chains in solvent at various a lattice containing the polymers or polymers and solvent. One defines the system in terms of reduced PVT parameters: ρ.

= ρ/ρ∗ = 1/ v. reduced density (= 1 at 0°K)File Size: 97KB. Thermodynamics of Surfaces and Interfaces: Concepts in Inorganic Materials - Kindle edition by Meier, Gerald H. Download it once and read it on your Kindle device, PC, phones or tablets.

Use features like bookmarks, note taking and highlighting while reading Thermodynamics of Surfaces and Interfaces: Concepts in Inorganic cturer: Cambridge University Press.

10 Colloids and Interfaces with Surfactants and Polymers face-centred cubic and if the lattice spacing is of the order of the wavelength of light, strong diffraction will be seen. Opal is a naturally occurring colloid where this effect is utilized as a gemstone.

Polymer Thermodynamics and Chain Structure Polymers display some similarities and some differences with nano-aggregates.

Both materials are composed of basic units, Kuhn units for polymers which are rod-like molecular to nano-scale and regular structures and primary particles of nano-aggregates. The University of British Columbia, School of Engineering, Kelowna, Canada Interests: Polymer Processing, Forming, and Characterization; Multifunctional Polymer Nanocomposites with a Wide Range of Properties, i.e., Electrical, Electromagnetic, Dielectric, Gas Sensing, Thermal, Mechanical, Tribological, and Deicing; Conductive and Magnetic Nanomaterials Synthesis.

Elastic stiffness and lattice constants of perovskite at GPa O&O GULP a b c P= GULP, GPa O&O (), GPa Bulk modulus Oganov & Ono, ab initio 2 2 V E K V ∂ ∂ = GULP vs.

DFT. Abstract. Mechanical and viscoelastic properties of polymer layers adsorbed on solid-liquid interfaces from solutions can be distinctly different from that of the corresponding polymers in bulk solution due to interaction of molecules with the : Sheng Qin, Sheng Qin, Xuefeng Tang, Xianbin Du, Lifei Zhu, Yifeng Wei, Osung Kwon, Jiajie Fang, Ping.

In this work we have used atomistic computer simulations to examine the structure, thermodynamics and transport properties, for two models of chemically heterogeneous interfaces: an ideal model (repulsive soft spheres against a potential wall), and a metal alloy interface (Cu-Pb).

In both systems, interfacial prefreezing (crystal formation. Inorganic polymers are polymers with a skeletal structure that does not include carbon atoms in the backbone.

Polymers containing inorganic and organic components are sometimes called hybrid polymers, and most so-called inorganic polymers are hybrid polymers. One of the best known examples is polydimethylsiloxane, otherwise known commonly as silicone rubber.

Book Description. Polymer Thermodynamics: Blends, Copolymers and Reversible Polymerization describes the thermodynamic basis for miscibility as well as the mathematical models used to predict the compositional window of miscibility and construct temperature versus volume-fraction phase diagrams.

The book covers the binary interaction model, the solubility parameter. The Influence of Chain Connectivity on Thermadynamie and Structural Properties of Lattice Polymers Integral Equation and Partition Function Theories PROEFSCHRIFT ter verkrijging van de graad van doctor aan de Technische Universiteit Eindhoven, op gezag van de Rector Magnificus, M.

Rem, voor een commissie aangewezen door het College voorAuthor: S. Wang. Polymeric materials surveyed include mesophases, liquid crystalline polymers, polymer blends, block copolymers, and crystalline polymers forming lamellae or spherulites.

3 credits: Organic Polymerization Reaction: Mechanisms, kinetics, and thermodynamics of the principal polymerization reactions. ENAS Polymer Physics Professor Chinedum Osuji Mason Lab,@ Description This course covers the static and dynamic properties of polymers in so-lution, melt and surface adsorbed states and their relevance in industrial polymer processing, nanotechnology, materials science and biophysics.

Among transition metal nitrides, tungsten nitrides possess unique and/or superior chemical, mechanical, and thermal properties. Preparation of these nitrides, however, is challenging because the incorporation of nitrogen into tungsten lattice is thermodynamically unfavorable at atmospheric pressure.

To date, most materials in the W–N system are in the form of thin films. Lattice thermodynamics. Ionization Energies of Gaseous Atoms (kJ/mol) Electron Affinities (EA)* Standard Enthalpies of Formation of Gaseous Atoms; Standard Heats of Formation for Gaseous Complex Ions, Calculated and (Experimental) Lattice Energies (LE) Madelung Constants(A).

Prof. Doros N. Theodorou Laboratory Founder and Collaborating Researcher doros at Telephone: +30 (NTUA) For more updated information, please visit Prof.

Theodorou's web site at NTUA, here. In functional oxide films, different electrical/mechanical boundaries near film surfaces induce rich phase diagrams and exotic phenomena.

In this paper, we review some key points which underpin structure, phase transition and related properties in BiFeO3 ultrathin films. Compared with the bulk counterparts, we survey the recent results of epitaxial BiFeO3 ultrathin films to illustrate Cited by: 5.

@article{osti_, title = {Interfacial phenomena in metals and alloys}, author = {Murr, L E}, abstractNote = {Data and information are presented on the thermodynamic properties, structures, and characteristics of interfaces which control the bulk and surface behavior of materials.

Chapters are included on thermodynamics of solid interfaces. Thermodynamics of Surfaces and Interfaces: Concepts in Inorganic Materials eBook: Meier, Gerald H.: : Kindle StoreAuthor: Gerald H.

Meier. Piezoelectricity is the electric charge that accumulates in certain solid materials (such as crystals, certain ceramics, and biological matter such as bone, DNA and various proteins) in response to applied mechanical word piezoelectricity means electricity resulting from pressure and latent heat.

It is derived from the Greek word πιέζειν; piezein, which means to squeeze or. Polymers are substances composed of many simple molecules that are repeating structural units, called monomers. A single polymer molecule may consist of hundreds to a million monomers and may have a linear, branched, or network structure.

Universal description of ideal polymer Construct equivalent freely jointed chainwith the same mean squared end- to-end distance and the same contour length L as actual consists of N effective, or Kuhn, segments, each of length b, such that: For chain of n bonds of.

In polymer chemistry, ring-opening polymerization (ROP) is a form of chain-growth polymerization, in which the terminus of a polymer chain attacks cyclic monomers to form a longer polymer (see figure).

The reactive center can be radical, anionic or cyclic monomers such as norbornene or cyclooctadiene can be polymerized to high molecular weight polymers by using. Chemistry is the scientific discipline involved with elements and compounds composed of atoms, molecules and ions: their composition, structure, properties, behavior and the changes they undergo during a reaction with other substances.

In the scope of its subject, chemistry occupies an intermediate position between physics and biology. It is sometimes called the central. the entropy and enthalpy of mixing using a simple lattice model for polymer solutions, based on the Flory-Huggins theory of polymer solutions.

o Paul J. Flory’s extensive work on the statistical thermodynamics of polymers was awarded the nobel prize in chemistry in Image removed for copyright reasons.

Photograph of P. Size: 4MB. Content: The structure and properties of glassy polymers: an overview / Anita J. Hill and Martin R. Tant --The use of configurational entropy to derive the kinetic properties of polymer glasses / Edmund A.

Di Marzio --Entropy, landscapes, and fragility in liquids and polymers, and the [delta]Cp [excess heat capacity] problem / C.A. Angell --Dynamic properties of polymer melts.

Concepts of polymer thermodynamics by Van Dijk Mixtures 32 Solubility Parameters 33 Group Contribution Methods 35 Topological Contributions 39 Lattice Theories 45 Entropy of Mixing 46 Heat of Mixing 48 References 48 3 Basic Thermodynamics of Polymeric Mixtures 49 Polymers 49 Introduction 49 The relations indicate that melting temperature, glass transition temperature, relaxation time, coefficient of thermal expansion of free volume are interrelated in polymers.

The parameters of structural relaxations, measured by mechanical and dielectric spectroscopies, are reviewed for polyethylene, poly(4-methylpentene) and a liquid Cited by:.

Abstract: Non-perturbative studies of the thermodynamics of strongly interacting elementary particles within the context of lattice regularized QCD are being reviewed. After a short introduction into thermal QCD on the lattice we report on the present status of investigations of bulk properties.

In particular, we discuss the present knowledge of the phase diagram Cited by: This text follows a broad sequence of preparation, characterization, physical and mechanical properties and structure-property relations. Polymers: Chemistry and Physics of Modern Materials, Second Edition covers several methods of polymerization, properties, and advanced applications such as liquid crystals and polymers used in the electronics industry/5(3).Motion of Crystal/Vapor Interfaces Structure of Crystal/Vapor Surfaces Crystal Growth from a Supersaturated Vapor Surfaces as Sinks for Supersaturated Lattice Vacancies Structure of Crystal/Liquid Interfaces Crystal Growth from an Undercooled Liquid Interface Motion during SolidificationFile Size: 1MB.

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