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Modeling and simulation in polymers [[electronic resource] /] / Purushottam D. Gujrati and Arkadii I. Leonov
| Modeling and simulation in polymers [[electronic resource] /] / Purushottam D. Gujrati and Arkadii I. Leonov |
| Autore | Gujrati Purushottam D |
| Pubbl/distr/stampa | Weinheim, : Wiley-VCH Verlag, 2010 |
| Descrizione fisica | 1 online resource (565 p.) |
| Disciplina | 541.22540113 |
| Altri autori (Persone) | LeonovA. I (Arkadii I.) |
| Soggetto topico |
Polymers - Mathematical models
Polymerization - Mathematical models |
| Soggetto genere / forma | Electronic books. |
| ISBN |
1-282-68802-2
9786612688027 3-527-63025-2 3-527-63026-0 |
| Formato | Materiale a stampa  |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Modeling and Simulation in Polymers; Contents; Preface; List of Contributors; 1 Computational Viscoelastic Fluid Mechanics and Numerical Studies of Turbulent Flows of Dilute Polymer Solutions; 1.1 Introduction and Historical Perspective; 1.2 Governing Equations and Polymer Modeling; 1.3 Numerical Methods for DNS; 1.3.1 Spectral Methods: Influence Matrix Formulation; 1.3.1.1 The Semi-Implicit/Explicit Scheme; 1.3.1.2 The Fully Implicit Scheme; 1.3.1.3 Typical Simulation Conditions; 1.3.2 The Positive Definiteness of the Conformation Tensor
1.4 Effects of Flow, Rheological, and Numerical Parameters on DNS of Turbulent Channel Flow of Dilute Polymer Solutions1.4.1 Drag Reduction Evaluation; 1.4.2 Effects of Flow and Rheological Parameters; 1.4.3 Effects of Numerical Parameters; 1.5 Conclusions and Thoughts on Future Work; References; 2 Modeling of Polymer Matrix Nanocomposites; 2.1 Introduction; 2.2 Polymer Clay Nanocomposites and Coarse-Grained Models; 2.2.1 Coarse-Grained Components; 2.2.2 Methods and Timescales; 2.2.2.1 Off-Lattice (Continuum) Approach; 2.2.2.2 Discrete Lattice Approach; 2.2.2.3 Hybrid Approach 2.2.3 Coarse-Grained Sheet2.2.3.1 Conformation and Dynamics of a Sheet; 2.2.4 Coarse-Grained Studies of Nanocomposites; 2.2.4.1 Probing Exfoliation and Dispersion; 2.2.5 Platelets in Composite Matrix; 2.2.5.1 Solvent Particles; 2.2.5.2 Polymer Matrix; 2.2.6 Conclusions and Outlook; 2.3 All-Atom Models for Interfaces and Application to Clay Minerals; 2.3.1 Force Fields for Inorganic Components; 2.3.1.1 Atomic Charges; 2.3.1.2 Lennard-Jones Parameters; 2.3.1.3 Bonded Parameters 2.3.2 Self-Assembly of Alkylammonium Ions on Montmorillonite: Structural and Surface Properties at the Molecular Level2.3.3 Relationship Between Packing Density and Thermal Transitions of Alkyl Chains on Layered Silicate and Metal Surfaces; 2.4 Interfacial Thermal Properties of Cross-Linked Polymer-CNT Nanocomposites; 2.4.1 Model Building; 2.4.2 Thermal Conductivity; 2.5 Conclusion; References; 3 Computational Studies of Polymer Kinetics Galina Litvinenko; 3.1 Introduction; 3.2 Batch Polymerization; 3.2.1 Ideal Living Polymerization; 3.2.2 Effect of Chain Transfer Reactions 3.2.3 Chain Transfer to Solvent3.2.4 Multifunctional Initiators; 3.2.5 Chain Transfer to Polymer; 3.2.6 Chain Transfer to Monomer; 3.3 Continuous Polymerization; 3.3.1 MWD of Living Polymers Formed in CSTR; 3.3.2 Chain Transfer to Solvent; 3.3.3 Chain Transfer to Monomer; 3.3.4 Chain Transfer to Polymer; 3.4 Conclusions; References; 4 Computational Polymer Processing; 4.1 Introduction; 4.1.1 Polymer Processing; 4.1.2 Historical Notes on Computations; 4.2 Mathematical Modeling; 4.2.1 Governing Conservation Equations; 4.2.2 Constitutive Equations; 4.2.3 Dimensionless Groups 4.2.4 Boundary Conditions |
| Record Nr. | UNINA-9910140552703321 |
Gujrati Purushottam D
|
||
| Weinheim, : Wiley-VCH Verlag, 2010 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Modeling and simulation in polymers [[electronic resource] /] / Purushottam D. Gujrati and Arkadii I. Leonov
| Modeling and simulation in polymers [[electronic resource] /] / Purushottam D. Gujrati and Arkadii I. Leonov |
| Autore | Gujrati Purushottam D |
| Pubbl/distr/stampa | Weinheim, : Wiley-VCH Verlag, 2010 |
| Descrizione fisica | 1 online resource (565 p.) |
| Disciplina | 541.22540113 |
| Altri autori (Persone) | LeonovA. I (Arkadii I.) |
| Soggetto topico |
Polymers - Mathematical models
Polymerization - Mathematical models |
| ISBN |
1-282-68802-2
9786612688027 3-527-63025-2 3-527-63026-0 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Modeling and Simulation in Polymers; Contents; Preface; List of Contributors; 1 Computational Viscoelastic Fluid Mechanics and Numerical Studies of Turbulent Flows of Dilute Polymer Solutions; 1.1 Introduction and Historical Perspective; 1.2 Governing Equations and Polymer Modeling; 1.3 Numerical Methods for DNS; 1.3.1 Spectral Methods: Influence Matrix Formulation; 1.3.1.1 The Semi-Implicit/Explicit Scheme; 1.3.1.2 The Fully Implicit Scheme; 1.3.1.3 Typical Simulation Conditions; 1.3.2 The Positive Definiteness of the Conformation Tensor
1.4 Effects of Flow, Rheological, and Numerical Parameters on DNS of Turbulent Channel Flow of Dilute Polymer Solutions1.4.1 Drag Reduction Evaluation; 1.4.2 Effects of Flow and Rheological Parameters; 1.4.3 Effects of Numerical Parameters; 1.5 Conclusions and Thoughts on Future Work; References; 2 Modeling of Polymer Matrix Nanocomposites; 2.1 Introduction; 2.2 Polymer Clay Nanocomposites and Coarse-Grained Models; 2.2.1 Coarse-Grained Components; 2.2.2 Methods and Timescales; 2.2.2.1 Off-Lattice (Continuum) Approach; 2.2.2.2 Discrete Lattice Approach; 2.2.2.3 Hybrid Approach 2.2.3 Coarse-Grained Sheet2.2.3.1 Conformation and Dynamics of a Sheet; 2.2.4 Coarse-Grained Studies of Nanocomposites; 2.2.4.1 Probing Exfoliation and Dispersion; 2.2.5 Platelets in Composite Matrix; 2.2.5.1 Solvent Particles; 2.2.5.2 Polymer Matrix; 2.2.6 Conclusions and Outlook; 2.3 All-Atom Models for Interfaces and Application to Clay Minerals; 2.3.1 Force Fields for Inorganic Components; 2.3.1.1 Atomic Charges; 2.3.1.2 Lennard-Jones Parameters; 2.3.1.3 Bonded Parameters 2.3.2 Self-Assembly of Alkylammonium Ions on Montmorillonite: Structural and Surface Properties at the Molecular Level2.3.3 Relationship Between Packing Density and Thermal Transitions of Alkyl Chains on Layered Silicate and Metal Surfaces; 2.4 Interfacial Thermal Properties of Cross-Linked Polymer-CNT Nanocomposites; 2.4.1 Model Building; 2.4.2 Thermal Conductivity; 2.5 Conclusion; References; 3 Computational Studies of Polymer Kinetics Galina Litvinenko; 3.1 Introduction; 3.2 Batch Polymerization; 3.2.1 Ideal Living Polymerization; 3.2.2 Effect of Chain Transfer Reactions 3.2.3 Chain Transfer to Solvent3.2.4 Multifunctional Initiators; 3.2.5 Chain Transfer to Polymer; 3.2.6 Chain Transfer to Monomer; 3.3 Continuous Polymerization; 3.3.1 MWD of Living Polymers Formed in CSTR; 3.3.2 Chain Transfer to Solvent; 3.3.3 Chain Transfer to Monomer; 3.3.4 Chain Transfer to Polymer; 3.4 Conclusions; References; 4 Computational Polymer Processing; 4.1 Introduction; 4.1.1 Polymer Processing; 4.1.2 Historical Notes on Computations; 4.2 Mathematical Modeling; 4.2.1 Governing Conservation Equations; 4.2.2 Constitutive Equations; 4.2.3 Dimensionless Groups 4.2.4 Boundary Conditions |
| Record Nr. | UNINA-9910829924803321 |
|
Gujrati Purushottam D
|
||
| Weinheim, : Wiley-VCH Verlag, 2010 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||
Modeling and simulation in polymers [[electronic resource] /] / Purushottam D. Gujrati and Arkadii I. Leonov
| Modeling and simulation in polymers [[electronic resource] /] / Purushottam D. Gujrati and Arkadii I. Leonov |
| Autore | Gujrati Purushottam D |
| Pubbl/distr/stampa | Weinheim, : Wiley-VCH Verlag, 2010 |
| Descrizione fisica | 1 online resource (565 p.) |
| Disciplina | 541.22540113 |
| Altri autori (Persone) | LeonovA. I (Arkadii I.) |
| Soggetto topico |
Polymers - Mathematical models
Polymerization - Mathematical models |
| ISBN |
1-282-68802-2
9786612688027 3-527-63025-2 3-527-63026-0 |
| Formato | Materiale a stampa |
| Livello bibliografico | Monografia |
| Lingua di pubblicazione | eng |
| Nota di contenuto |
Modeling and Simulation in Polymers; Contents; Preface; List of Contributors; 1 Computational Viscoelastic Fluid Mechanics and Numerical Studies of Turbulent Flows of Dilute Polymer Solutions; 1.1 Introduction and Historical Perspective; 1.2 Governing Equations and Polymer Modeling; 1.3 Numerical Methods for DNS; 1.3.1 Spectral Methods: Influence Matrix Formulation; 1.3.1.1 The Semi-Implicit/Explicit Scheme; 1.3.1.2 The Fully Implicit Scheme; 1.3.1.3 Typical Simulation Conditions; 1.3.2 The Positive Definiteness of the Conformation Tensor
1.4 Effects of Flow, Rheological, and Numerical Parameters on DNS of Turbulent Channel Flow of Dilute Polymer Solutions1.4.1 Drag Reduction Evaluation; 1.4.2 Effects of Flow and Rheological Parameters; 1.4.3 Effects of Numerical Parameters; 1.5 Conclusions and Thoughts on Future Work; References; 2 Modeling of Polymer Matrix Nanocomposites; 2.1 Introduction; 2.2 Polymer Clay Nanocomposites and Coarse-Grained Models; 2.2.1 Coarse-Grained Components; 2.2.2 Methods and Timescales; 2.2.2.1 Off-Lattice (Continuum) Approach; 2.2.2.2 Discrete Lattice Approach; 2.2.2.3 Hybrid Approach 2.2.3 Coarse-Grained Sheet2.2.3.1 Conformation and Dynamics of a Sheet; 2.2.4 Coarse-Grained Studies of Nanocomposites; 2.2.4.1 Probing Exfoliation and Dispersion; 2.2.5 Platelets in Composite Matrix; 2.2.5.1 Solvent Particles; 2.2.5.2 Polymer Matrix; 2.2.6 Conclusions and Outlook; 2.3 All-Atom Models for Interfaces and Application to Clay Minerals; 2.3.1 Force Fields for Inorganic Components; 2.3.1.1 Atomic Charges; 2.3.1.2 Lennard-Jones Parameters; 2.3.1.3 Bonded Parameters 2.3.2 Self-Assembly of Alkylammonium Ions on Montmorillonite: Structural and Surface Properties at the Molecular Level2.3.3 Relationship Between Packing Density and Thermal Transitions of Alkyl Chains on Layered Silicate and Metal Surfaces; 2.4 Interfacial Thermal Properties of Cross-Linked Polymer-CNT Nanocomposites; 2.4.1 Model Building; 2.4.2 Thermal Conductivity; 2.5 Conclusion; References; 3 Computational Studies of Polymer Kinetics Galina Litvinenko; 3.1 Introduction; 3.2 Batch Polymerization; 3.2.1 Ideal Living Polymerization; 3.2.2 Effect of Chain Transfer Reactions 3.2.3 Chain Transfer to Solvent3.2.4 Multifunctional Initiators; 3.2.5 Chain Transfer to Polymer; 3.2.6 Chain Transfer to Monomer; 3.3 Continuous Polymerization; 3.3.1 MWD of Living Polymers Formed in CSTR; 3.3.2 Chain Transfer to Solvent; 3.3.3 Chain Transfer to Monomer; 3.3.4 Chain Transfer to Polymer; 3.4 Conclusions; References; 4 Computational Polymer Processing; 4.1 Introduction; 4.1.1 Polymer Processing; 4.1.2 Historical Notes on Computations; 4.2 Mathematical Modeling; 4.2.1 Governing Conservation Equations; 4.2.2 Constitutive Equations; 4.2.3 Dimensionless Groups 4.2.4 Boundary Conditions |
| Record Nr. | UNINA-9910841513103321 |
|
Gujrati Purushottam D
|
||
| Weinheim, : Wiley-VCH Verlag, 2010 | ||
| Materiale a stampa | ||
| Lo trovi qui: Univ. Federico II | ||
| ||