Self-assembling systems: theory and simulation
Saved in:
| Main Author: | |
|---|---|
| Format: | Electronic eBook |
| Language: | English |
| Published: |
Chichester, West Sussex
John Wiley & Sons, Inc.
2016
|
| Subjects: | |
| Online Access: | FRO01 UBG01 Volltext |
| Item Description: | Includes bibliographical references and index |
| Physical Description: | 1 online resource |
| ISBN: | 1119113156 1119113164 1119113172 9781119113157 9781119113164 9781119113171 |
Staff View
MARC
| LEADER | 00000nmm a2200000zc 4500 | ||
|---|---|---|---|
| 001 | BV043897150 | ||
| 003 | DE-604 | ||
| 005 | 00000000000000.0 | ||
| 007 | cr|uuu---uuuuu | ||
| 008 | 161124s2016 |||| o||u| ||||||eng d | ||
| 020 | |a 1119113156 |9 1-119-11315-6 | ||
| 020 | |a 1119113164 |9 1-119-11316-4 | ||
| 020 | |a 1119113172 |9 1-119-11317-2 | ||
| 020 | |a 9781119113157 |9 978-1-119-11315-7 | ||
| 020 | |a 9781119113164 |9 978-1-119-11316-4 | ||
| 020 | |a 9781119113171 |c Online |9 978-1-119-11317-1 | ||
| 035 | |a (ZDB-35-WIC)ocn952139357 | ||
| 035 | |a (OCoLC)966680640 | ||
| 035 | |a (DE-599)BVBBV043897150 | ||
| 040 | |a DE-604 |b ger |e rda | ||
| 041 | 0 | |a eng | |
| 049 | |a DE-861 | ||
| 082 | 0 | |a 547/.2 | |
| 100 | 1 | |a Yan, Li-Tang |d 1978- |e Verfasser |4 aut | |
| 245 | 1 | 0 | |a Self-assembling systems |b theory and simulation |c edited by Li-Tang Yan, Department of Chemical Engineering, Tsinghua University, China |
| 264 | 1 | |a Chichester, West Sussex |b John Wiley & Sons, Inc. |c 2016 | |
| 300 | |a 1 online resource | ||
| 336 | |b txt |2 rdacontent | ||
| 337 | |b c |2 rdamedia | ||
| 338 | |b cr |2 rdacarrier | ||
| 500 | |a Includes bibliographical references and index | ||
| 505 | 8 | |a Cover; Title Page; Copyright; Contents; List of Contributors; Preface; Chapter 1 Theoretical Studies and Tailored Computer Simulations in Self-Assembling Systems: A General Aspect; 1.1 Introduction; 1.2 Emerging Self-Assembling Principles; 1.2.1 Predictive Science and Rational Design of Complex Building Blocks; 1.2.2 Entropy-Driven Ordering and Self-Assembly; 1.2.3 Programmable Self-Assembly; 1.2.4 Self-Assembling Kinetics: Supracolloidal Reaction; Acknowledgments; References; Chapter 2 Developing Hybrid Modeling Methods to Simulate Self-Assembly in Polymer Nanocomposites; 2.1 Introduction | |
| 505 | 8 | |a 2.2 Methodology2.2.1 Dissipative Particle Dynamics; 2.2.2 Polymer Chains, Gels, and Nanoparticles; 2.2.3 Radical Polymerization Model; 2.3 Results and Discussions; 2.3.1 Modeling Bulk Polymerization Using FRP and ATRP; 2.3.2 Modeling Regeneration of Severed Polymer Gels with Interfacially Active Nanorods; 2.3.3 Modeling the Formation of Polymer-Clay Composite Gels; 2.4 Conclusions; Acknowledgments; References; Chapter 3 Theory and Simulation Studies of Self-Assembly of Helical Particles; 3.1 Introduction: Why Hard Helices?; 3.2 Liquid Crystal Phases; 3.3 Hard Helices: A Minimal Model | |
| 505 | 8 | |a 3.4 Numerical Simulations3.4.1 Monte Carlo in Various Ensembles; 3.4.1.1 Canonical Monte Carlo simulations (NVT-MC); 3.4.1.2 Isothermal-Isobaric Monte Carlo Simulations (NPT-MC); 3.4.2 Details on the MC Simulation of Hard Helices; 3.5 Onsager (Density Functional) Theory; 3.6 Onsager-Like Theory for the Cholesteric and Screw-Nematic Phases; 3.7 Order Parameters and Correlation Functions; 3.7.1 Nematic Order Parameter ; 3.7.2 Screw-Like Nematic Order Parameter; 3.7.3 Smectic Order Parameter; 3.7.4 Hexatic Order Parameter; 3.7.5 Parallel and Perpendicular Pair Correlation Functions | |
| 505 | 8 | |a 3.8 The Physical Origin of Cholesteric and Screw-Like Order3.9 The Phase Diagram of Hard Helices; 3.9.1 The Equation of State; 3.9.2 Phase Diagrams in the Volume Fraction-Pitch Plane; 3.9.2.1 Phase Diagram for r=0.1; 3.9.2.2 Phase Diagram for r=0.2; 3.9.2.3 Phase Diagram for r=0.4; 3.10 Helical (Bio)Polymers and Colloidal Particles; 3.11 Conclusions and Perspectives; Acknowledgments; References; Chapter 4 Self-Consistent Field Theory of Self-Assembling Multiblock Copolymers; 4.1 Introduction; 4.2 Theoretical Framework: Self-Consistent Field Theory of Block Copolymers | |
| 505 | 8 | |a 4.3 Numerical Methods of SCFT4.3.1 Reciprocal-Space Method; 4.3.2 Real-Space Method; 4.3.3 Pseudo-Spectral Method; 4.3.4 Fourth-Order Pseudo-Spectral Method; 4.4 Application of SCFT to Multiblock Copolymers; 4.5 Conclusions and Discussions; Acknowledgments; References; Chapter 5 Simulation Models of Soft Janus and Patchy Particles; 5.1 Introduction; 5.2 Soft Janus Particle Models; 5.2.1 Soft One-Patch Janus Particle Model; 5.2.2 Soft ABA-Type Triblock Janus Particle Model; 5.2.3 Soft BAB-Type Triblock Janus Particle Model; 5.2.4 Integration Algorithm; 5.3 Soft Patchy Particle Models | |
| 650 | 7 | |a Colloidal crystals |2 fast | |
| 650 | 7 | |a Polymers |2 fast | |
| 650 | 7 | |a Self-assembly (Chemistry) |2 fast | |
| 650 | 7 | |a SCIENCE / Chemistry / Organic |2 bisacsh | |
| 650 | 4 | |a Chemie | |
| 650 | 4 | |a Self-assembly (Chemistry) | |
| 650 | 4 | |a Colloidal crystals | |
| 650 | 4 | |a Polymers | |
| 776 | 0 | 8 | |i Erscheint auch als |n Druckausgabe |z 978-1-119-11314-0 |
| 856 | 4 | 0 | |u https://onlinelibrary.wiley.com/doi/book/10.1002/9781119113171 |x Verlag |z URL des Erstveröffentlichers |3 Volltext |
| 912 | |a ZDB-35-WIC | ||
| 940 | 1 | |q UBG_PDA_WIC | |
| 999 | |a oai:aleph.bib-bvb.de:BVB01-029306499 | ||
| 966 | e | |u https://onlinelibrary.wiley.com/doi/book/10.1002/9781119113171 |l FRO01 |p ZDB-35-WIC |q FRO_PDA_WIC |x Verlag |3 Volltext | |
| 966 | e | |u https://onlinelibrary.wiley.com/doi/book/10.1002/9781119113171 |l UBG01 |p ZDB-35-WIC |q UBG_PDA_WIC |x Verlag |3 Volltext | |
Record in the Search Index
| _version_ | 1804176798290804736 |
|---|---|
| any_adam_object | |
| author | Yan, Li-Tang 1978- |
| author_facet | Yan, Li-Tang 1978- |
| author_role | aut |
| author_sort | Yan, Li-Tang 1978- |
| author_variant | l t y lty |
| building | Verbundindex |
| bvnumber | BV043897150 |
| collection | ZDB-35-WIC |
| contents | Cover; Title Page; Copyright; Contents; List of Contributors; Preface; Chapter 1 Theoretical Studies and Tailored Computer Simulations in Self-Assembling Systems: A General Aspect; 1.1 Introduction; 1.2 Emerging Self-Assembling Principles; 1.2.1 Predictive Science and Rational Design of Complex Building Blocks; 1.2.2 Entropy-Driven Ordering and Self-Assembly; 1.2.3 Programmable Self-Assembly; 1.2.4 Self-Assembling Kinetics: Supracolloidal Reaction; Acknowledgments; References; Chapter 2 Developing Hybrid Modeling Methods to Simulate Self-Assembly in Polymer Nanocomposites; 2.1 Introduction 2.2 Methodology2.2.1 Dissipative Particle Dynamics; 2.2.2 Polymer Chains, Gels, and Nanoparticles; 2.2.3 Radical Polymerization Model; 2.3 Results and Discussions; 2.3.1 Modeling Bulk Polymerization Using FRP and ATRP; 2.3.2 Modeling Regeneration of Severed Polymer Gels with Interfacially Active Nanorods; 2.3.3 Modeling the Formation of Polymer-Clay Composite Gels; 2.4 Conclusions; Acknowledgments; References; Chapter 3 Theory and Simulation Studies of Self-Assembly of Helical Particles; 3.1 Introduction: Why Hard Helices?; 3.2 Liquid Crystal Phases; 3.3 Hard Helices: A Minimal Model 3.4 Numerical Simulations3.4.1 Monte Carlo in Various Ensembles; 3.4.1.1 Canonical Monte Carlo simulations (NVT-MC); 3.4.1.2 Isothermal-Isobaric Monte Carlo Simulations (NPT-MC); 3.4.2 Details on the MC Simulation of Hard Helices; 3.5 Onsager (Density Functional) Theory; 3.6 Onsager-Like Theory for the Cholesteric and Screw-Nematic Phases; 3.7 Order Parameters and Correlation Functions; 3.7.1 Nematic Order Parameter ; 3.7.2 Screw-Like Nematic Order Parameter; 3.7.3 Smectic Order Parameter; 3.7.4 Hexatic Order Parameter; 3.7.5 Parallel and Perpendicular Pair Correlation Functions 3.8 The Physical Origin of Cholesteric and Screw-Like Order3.9 The Phase Diagram of Hard Helices; 3.9.1 The Equation of State; 3.9.2 Phase Diagrams in the Volume Fraction-Pitch Plane; 3.9.2.1 Phase Diagram for r=0.1; 3.9.2.2 Phase Diagram for r=0.2; 3.9.2.3 Phase Diagram for r=0.4; 3.10 Helical (Bio)Polymers and Colloidal Particles; 3.11 Conclusions and Perspectives; Acknowledgments; References; Chapter 4 Self-Consistent Field Theory of Self-Assembling Multiblock Copolymers; 4.1 Introduction; 4.2 Theoretical Framework: Self-Consistent Field Theory of Block Copolymers 4.3 Numerical Methods of SCFT4.3.1 Reciprocal-Space Method; 4.3.2 Real-Space Method; 4.3.3 Pseudo-Spectral Method; 4.3.4 Fourth-Order Pseudo-Spectral Method; 4.4 Application of SCFT to Multiblock Copolymers; 4.5 Conclusions and Discussions; Acknowledgments; References; Chapter 5 Simulation Models of Soft Janus and Patchy Particles; 5.1 Introduction; 5.2 Soft Janus Particle Models; 5.2.1 Soft One-Patch Janus Particle Model; 5.2.2 Soft ABA-Type Triblock Janus Particle Model; 5.2.3 Soft BAB-Type Triblock Janus Particle Model; 5.2.4 Integration Algorithm; 5.3 Soft Patchy Particle Models |
| ctrlnum | (ZDB-35-WIC)ocn952139357 (OCoLC)966680640 (DE-599)BVBBV043897150 |
| dewey-full | 547/.2 |
| dewey-hundreds | 500 - Natural sciences and mathematics |
| dewey-ones | 547 - Organic chemistry |
| dewey-raw | 547/.2 |
| dewey-search | 547/.2 |
| dewey-sort | 3547 12 |
| dewey-tens | 540 - Chemistry and allied sciences |
| discipline | Chemie / Pharmazie |
| format | Electronic eBook |
| fullrecord | <?xml version="1.0" encoding="UTF-8"?><collection xmlns="http://www.loc.gov/MARC21/slim"><record><leader>05011nmm a2200577zc 4500</leader><controlfield tag="001">BV043897150</controlfield><controlfield tag="003">DE-604</controlfield><controlfield tag="005">00000000000000.0</controlfield><controlfield tag="007">cr|uuu---uuuuu</controlfield><controlfield tag="008">161124s2016 |||| o||u| ||||||eng d</controlfield><datafield tag="020" ind1=" " ind2=" "><subfield code="a">1119113156</subfield><subfield code="9">1-119-11315-6</subfield></datafield><datafield tag="020" ind1=" " ind2=" "><subfield code="a">1119113164</subfield><subfield code="9">1-119-11316-4</subfield></datafield><datafield tag="020" ind1=" " ind2=" "><subfield code="a">1119113172</subfield><subfield code="9">1-119-11317-2</subfield></datafield><datafield tag="020" ind1=" " ind2=" "><subfield code="a">9781119113157</subfield><subfield code="9">978-1-119-11315-7</subfield></datafield><datafield tag="020" ind1=" " ind2=" "><subfield code="a">9781119113164</subfield><subfield code="9">978-1-119-11316-4</subfield></datafield><datafield tag="020" ind1=" " ind2=" "><subfield code="a">9781119113171</subfield><subfield code="c">Online</subfield><subfield code="9">978-1-119-11317-1</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(ZDB-35-WIC)ocn952139357</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(OCoLC)966680640</subfield></datafield><datafield tag="035" ind1=" " ind2=" "><subfield code="a">(DE-599)BVBBV043897150</subfield></datafield><datafield tag="040" ind1=" " ind2=" "><subfield code="a">DE-604</subfield><subfield code="b">ger</subfield><subfield code="e">rda</subfield></datafield><datafield tag="041" ind1="0" ind2=" "><subfield code="a">eng</subfield></datafield><datafield tag="049" ind1=" " ind2=" "><subfield code="a">DE-861</subfield></datafield><datafield tag="082" ind1="0" ind2=" "><subfield code="a">547/.2</subfield></datafield><datafield tag="100" ind1="1" ind2=" "><subfield code="a">Yan, Li-Tang</subfield><subfield code="d">1978-</subfield><subfield code="e">Verfasser</subfield><subfield code="4">aut</subfield></datafield><datafield tag="245" ind1="1" ind2="0"><subfield code="a">Self-assembling systems</subfield><subfield code="b">theory and simulation</subfield><subfield code="c">edited by Li-Tang Yan, Department of Chemical Engineering, Tsinghua University, China</subfield></datafield><datafield tag="264" ind1=" " ind2="1"><subfield code="a">Chichester, West Sussex</subfield><subfield code="b">John Wiley & Sons, Inc.</subfield><subfield code="c">2016</subfield></datafield><datafield tag="300" ind1=" " ind2=" "><subfield code="a">1 online resource</subfield></datafield><datafield tag="336" ind1=" " ind2=" "><subfield code="b">txt</subfield><subfield code="2">rdacontent</subfield></datafield><datafield tag="337" ind1=" " ind2=" "><subfield code="b">c</subfield><subfield code="2">rdamedia</subfield></datafield><datafield tag="338" ind1=" " ind2=" "><subfield code="b">cr</subfield><subfield code="2">rdacarrier</subfield></datafield><datafield tag="500" ind1=" " ind2=" "><subfield code="a">Includes bibliographical references and index</subfield></datafield><datafield tag="505" ind1="8" ind2=" "><subfield code="a">Cover; Title Page; Copyright; Contents; List of Contributors; Preface; Chapter 1 Theoretical Studies and Tailored Computer Simulations in Self-Assembling Systems: A General Aspect; 1.1 Introduction; 1.2 Emerging Self-Assembling Principles; 1.2.1 Predictive Science and Rational Design of Complex Building Blocks; 1.2.2 Entropy-Driven Ordering and Self-Assembly; 1.2.3 Programmable Self-Assembly; 1.2.4 Self-Assembling Kinetics: Supracolloidal Reaction; Acknowledgments; References; Chapter 2 Developing Hybrid Modeling Methods to Simulate Self-Assembly in Polymer Nanocomposites; 2.1 Introduction</subfield></datafield><datafield tag="505" ind1="8" ind2=" "><subfield code="a">2.2 Methodology2.2.1 Dissipative Particle Dynamics; 2.2.2 Polymer Chains, Gels, and Nanoparticles; 2.2.3 Radical Polymerization Model; 2.3 Results and Discussions; 2.3.1 Modeling Bulk Polymerization Using FRP and ATRP; 2.3.2 Modeling Regeneration of Severed Polymer Gels with Interfacially Active Nanorods; 2.3.3 Modeling the Formation of Polymer-Clay Composite Gels; 2.4 Conclusions; Acknowledgments; References; Chapter 3 Theory and Simulation Studies of Self-Assembly of Helical Particles; 3.1 Introduction: Why Hard Helices?; 3.2 Liquid Crystal Phases; 3.3 Hard Helices: A Minimal Model</subfield></datafield><datafield tag="505" ind1="8" ind2=" "><subfield code="a">3.4 Numerical Simulations3.4.1 Monte Carlo in Various Ensembles; 3.4.1.1 Canonical Monte Carlo simulations (NVT-MC); 3.4.1.2 Isothermal-Isobaric Monte Carlo Simulations (NPT-MC); 3.4.2 Details on the MC Simulation of Hard Helices; 3.5 Onsager (Density Functional) Theory; 3.6 Onsager-Like Theory for the Cholesteric and Screw-Nematic Phases; 3.7 Order Parameters and Correlation Functions; 3.7.1 Nematic Order Parameter ; 3.7.2 Screw-Like Nematic Order Parameter; 3.7.3 Smectic Order Parameter; 3.7.4 Hexatic Order Parameter; 3.7.5 Parallel and Perpendicular Pair Correlation Functions</subfield></datafield><datafield tag="505" ind1="8" ind2=" "><subfield code="a">3.8 The Physical Origin of Cholesteric and Screw-Like Order3.9 The Phase Diagram of Hard Helices; 3.9.1 The Equation of State; 3.9.2 Phase Diagrams in the Volume Fraction-Pitch Plane; 3.9.2.1 Phase Diagram for r=0.1; 3.9.2.2 Phase Diagram for r=0.2; 3.9.2.3 Phase Diagram for r=0.4; 3.10 Helical (Bio)Polymers and Colloidal Particles; 3.11 Conclusions and Perspectives; Acknowledgments; References; Chapter 4 Self-Consistent Field Theory of Self-Assembling Multiblock Copolymers; 4.1 Introduction; 4.2 Theoretical Framework: Self-Consistent Field Theory of Block Copolymers</subfield></datafield><datafield tag="505" ind1="8" ind2=" "><subfield code="a">4.3 Numerical Methods of SCFT4.3.1 Reciprocal-Space Method; 4.3.2 Real-Space Method; 4.3.3 Pseudo-Spectral Method; 4.3.4 Fourth-Order Pseudo-Spectral Method; 4.4 Application of SCFT to Multiblock Copolymers; 4.5 Conclusions and Discussions; Acknowledgments; References; Chapter 5 Simulation Models of Soft Janus and Patchy Particles; 5.1 Introduction; 5.2 Soft Janus Particle Models; 5.2.1 Soft One-Patch Janus Particle Model; 5.2.2 Soft ABA-Type Triblock Janus Particle Model; 5.2.3 Soft BAB-Type Triblock Janus Particle Model; 5.2.4 Integration Algorithm; 5.3 Soft Patchy Particle Models</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">Colloidal crystals</subfield><subfield code="2">fast</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">Polymers</subfield><subfield code="2">fast</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">Self-assembly (Chemistry)</subfield><subfield code="2">fast</subfield></datafield><datafield tag="650" ind1=" " ind2="7"><subfield code="a">SCIENCE / Chemistry / Organic</subfield><subfield code="2">bisacsh</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Chemie</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Self-assembly (Chemistry)</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Colloidal crystals</subfield></datafield><datafield tag="650" ind1=" " ind2="4"><subfield code="a">Polymers</subfield></datafield><datafield tag="776" ind1="0" ind2="8"><subfield code="i">Erscheint auch als</subfield><subfield code="n">Druckausgabe</subfield><subfield code="z">978-1-119-11314-0</subfield></datafield><datafield tag="856" ind1="4" ind2="0"><subfield code="u">https://onlinelibrary.wiley.com/doi/book/10.1002/9781119113171</subfield><subfield code="x">Verlag</subfield><subfield code="z">URL des Erstveröffentlichers</subfield><subfield code="3">Volltext</subfield></datafield><datafield tag="912" ind1=" " ind2=" "><subfield code="a">ZDB-35-WIC</subfield></datafield><datafield tag="940" ind1="1" ind2=" "><subfield code="q">UBG_PDA_WIC</subfield></datafield><datafield tag="999" ind1=" " ind2=" "><subfield code="a">oai:aleph.bib-bvb.de:BVB01-029306499</subfield></datafield><datafield tag="966" ind1="e" ind2=" "><subfield code="u">https://onlinelibrary.wiley.com/doi/book/10.1002/9781119113171</subfield><subfield code="l">FRO01</subfield><subfield code="p">ZDB-35-WIC</subfield><subfield code="q">FRO_PDA_WIC</subfield><subfield code="x">Verlag</subfield><subfield code="3">Volltext</subfield></datafield><datafield tag="966" ind1="e" ind2=" "><subfield code="u">https://onlinelibrary.wiley.com/doi/book/10.1002/9781119113171</subfield><subfield code="l">UBG01</subfield><subfield code="p">ZDB-35-WIC</subfield><subfield code="q">UBG_PDA_WIC</subfield><subfield code="x">Verlag</subfield><subfield code="3">Volltext</subfield></datafield></record></collection> |
| id | DE-604.BV043897150 |
| illustrated | Not Illustrated |
| indexdate | 2024-07-10T07:37:54Z |
| institution | BVB |
| isbn | 1119113156 1119113164 1119113172 9781119113157 9781119113164 9781119113171 |
| language | English |
| oai_aleph_id | oai:aleph.bib-bvb.de:BVB01-029306499 |
| oclc_num | 952139357 966680640 |
| open_access_boolean | |
| owner | DE-861 |
| owner_facet | DE-861 |
| physical | 1 online resource |
| psigel | ZDB-35-WIC UBG_PDA_WIC ZDB-35-WIC FRO_PDA_WIC ZDB-35-WIC UBG_PDA_WIC |
| publishDate | 2016 |
| publishDateSearch | 2016 |
| publishDateSort | 2016 |
| publisher | John Wiley & Sons, Inc. |
| record_format | marc |
| spelling | Yan, Li-Tang 1978- Verfasser aut Self-assembling systems theory and simulation edited by Li-Tang Yan, Department of Chemical Engineering, Tsinghua University, China Chichester, West Sussex John Wiley & Sons, Inc. 2016 1 online resource txt rdacontent c rdamedia cr rdacarrier Includes bibliographical references and index Cover; Title Page; Copyright; Contents; List of Contributors; Preface; Chapter 1 Theoretical Studies and Tailored Computer Simulations in Self-Assembling Systems: A General Aspect; 1.1 Introduction; 1.2 Emerging Self-Assembling Principles; 1.2.1 Predictive Science and Rational Design of Complex Building Blocks; 1.2.2 Entropy-Driven Ordering and Self-Assembly; 1.2.3 Programmable Self-Assembly; 1.2.4 Self-Assembling Kinetics: Supracolloidal Reaction; Acknowledgments; References; Chapter 2 Developing Hybrid Modeling Methods to Simulate Self-Assembly in Polymer Nanocomposites; 2.1 Introduction 2.2 Methodology2.2.1 Dissipative Particle Dynamics; 2.2.2 Polymer Chains, Gels, and Nanoparticles; 2.2.3 Radical Polymerization Model; 2.3 Results and Discussions; 2.3.1 Modeling Bulk Polymerization Using FRP and ATRP; 2.3.2 Modeling Regeneration of Severed Polymer Gels with Interfacially Active Nanorods; 2.3.3 Modeling the Formation of Polymer-Clay Composite Gels; 2.4 Conclusions; Acknowledgments; References; Chapter 3 Theory and Simulation Studies of Self-Assembly of Helical Particles; 3.1 Introduction: Why Hard Helices?; 3.2 Liquid Crystal Phases; 3.3 Hard Helices: A Minimal Model 3.4 Numerical Simulations3.4.1 Monte Carlo in Various Ensembles; 3.4.1.1 Canonical Monte Carlo simulations (NVT-MC); 3.4.1.2 Isothermal-Isobaric Monte Carlo Simulations (NPT-MC); 3.4.2 Details on the MC Simulation of Hard Helices; 3.5 Onsager (Density Functional) Theory; 3.6 Onsager-Like Theory for the Cholesteric and Screw-Nematic Phases; 3.7 Order Parameters and Correlation Functions; 3.7.1 Nematic Order Parameter ; 3.7.2 Screw-Like Nematic Order Parameter; 3.7.3 Smectic Order Parameter; 3.7.4 Hexatic Order Parameter; 3.7.5 Parallel and Perpendicular Pair Correlation Functions 3.8 The Physical Origin of Cholesteric and Screw-Like Order3.9 The Phase Diagram of Hard Helices; 3.9.1 The Equation of State; 3.9.2 Phase Diagrams in the Volume Fraction-Pitch Plane; 3.9.2.1 Phase Diagram for r=0.1; 3.9.2.2 Phase Diagram for r=0.2; 3.9.2.3 Phase Diagram for r=0.4; 3.10 Helical (Bio)Polymers and Colloidal Particles; 3.11 Conclusions and Perspectives; Acknowledgments; References; Chapter 4 Self-Consistent Field Theory of Self-Assembling Multiblock Copolymers; 4.1 Introduction; 4.2 Theoretical Framework: Self-Consistent Field Theory of Block Copolymers 4.3 Numerical Methods of SCFT4.3.1 Reciprocal-Space Method; 4.3.2 Real-Space Method; 4.3.3 Pseudo-Spectral Method; 4.3.4 Fourth-Order Pseudo-Spectral Method; 4.4 Application of SCFT to Multiblock Copolymers; 4.5 Conclusions and Discussions; Acknowledgments; References; Chapter 5 Simulation Models of Soft Janus and Patchy Particles; 5.1 Introduction; 5.2 Soft Janus Particle Models; 5.2.1 Soft One-Patch Janus Particle Model; 5.2.2 Soft ABA-Type Triblock Janus Particle Model; 5.2.3 Soft BAB-Type Triblock Janus Particle Model; 5.2.4 Integration Algorithm; 5.3 Soft Patchy Particle Models Colloidal crystals fast Polymers fast Self-assembly (Chemistry) fast SCIENCE / Chemistry / Organic bisacsh Chemie Self-assembly (Chemistry) Colloidal crystals Polymers Erscheint auch als Druckausgabe 978-1-119-11314-0 https://onlinelibrary.wiley.com/doi/book/10.1002/9781119113171 Verlag URL des Erstveröffentlichers Volltext |
| spellingShingle | Yan, Li-Tang 1978- Self-assembling systems theory and simulation Cover; Title Page; Copyright; Contents; List of Contributors; Preface; Chapter 1 Theoretical Studies and Tailored Computer Simulations in Self-Assembling Systems: A General Aspect; 1.1 Introduction; 1.2 Emerging Self-Assembling Principles; 1.2.1 Predictive Science and Rational Design of Complex Building Blocks; 1.2.2 Entropy-Driven Ordering and Self-Assembly; 1.2.3 Programmable Self-Assembly; 1.2.4 Self-Assembling Kinetics: Supracolloidal Reaction; Acknowledgments; References; Chapter 2 Developing Hybrid Modeling Methods to Simulate Self-Assembly in Polymer Nanocomposites; 2.1 Introduction 2.2 Methodology2.2.1 Dissipative Particle Dynamics; 2.2.2 Polymer Chains, Gels, and Nanoparticles; 2.2.3 Radical Polymerization Model; 2.3 Results and Discussions; 2.3.1 Modeling Bulk Polymerization Using FRP and ATRP; 2.3.2 Modeling Regeneration of Severed Polymer Gels with Interfacially Active Nanorods; 2.3.3 Modeling the Formation of Polymer-Clay Composite Gels; 2.4 Conclusions; Acknowledgments; References; Chapter 3 Theory and Simulation Studies of Self-Assembly of Helical Particles; 3.1 Introduction: Why Hard Helices?; 3.2 Liquid Crystal Phases; 3.3 Hard Helices: A Minimal Model 3.4 Numerical Simulations3.4.1 Monte Carlo in Various Ensembles; 3.4.1.1 Canonical Monte Carlo simulations (NVT-MC); 3.4.1.2 Isothermal-Isobaric Monte Carlo Simulations (NPT-MC); 3.4.2 Details on the MC Simulation of Hard Helices; 3.5 Onsager (Density Functional) Theory; 3.6 Onsager-Like Theory for the Cholesteric and Screw-Nematic Phases; 3.7 Order Parameters and Correlation Functions; 3.7.1 Nematic Order Parameter ; 3.7.2 Screw-Like Nematic Order Parameter; 3.7.3 Smectic Order Parameter; 3.7.4 Hexatic Order Parameter; 3.7.5 Parallel and Perpendicular Pair Correlation Functions 3.8 The Physical Origin of Cholesteric and Screw-Like Order3.9 The Phase Diagram of Hard Helices; 3.9.1 The Equation of State; 3.9.2 Phase Diagrams in the Volume Fraction-Pitch Plane; 3.9.2.1 Phase Diagram for r=0.1; 3.9.2.2 Phase Diagram for r=0.2; 3.9.2.3 Phase Diagram for r=0.4; 3.10 Helical (Bio)Polymers and Colloidal Particles; 3.11 Conclusions and Perspectives; Acknowledgments; References; Chapter 4 Self-Consistent Field Theory of Self-Assembling Multiblock Copolymers; 4.1 Introduction; 4.2 Theoretical Framework: Self-Consistent Field Theory of Block Copolymers 4.3 Numerical Methods of SCFT4.3.1 Reciprocal-Space Method; 4.3.2 Real-Space Method; 4.3.3 Pseudo-Spectral Method; 4.3.4 Fourth-Order Pseudo-Spectral Method; 4.4 Application of SCFT to Multiblock Copolymers; 4.5 Conclusions and Discussions; Acknowledgments; References; Chapter 5 Simulation Models of Soft Janus and Patchy Particles; 5.1 Introduction; 5.2 Soft Janus Particle Models; 5.2.1 Soft One-Patch Janus Particle Model; 5.2.2 Soft ABA-Type Triblock Janus Particle Model; 5.2.3 Soft BAB-Type Triblock Janus Particle Model; 5.2.4 Integration Algorithm; 5.3 Soft Patchy Particle Models Colloidal crystals fast Polymers fast Self-assembly (Chemistry) fast SCIENCE / Chemistry / Organic bisacsh Chemie Self-assembly (Chemistry) Colloidal crystals Polymers |
| title | Self-assembling systems theory and simulation |
| title_auth | Self-assembling systems theory and simulation |
| title_exact_search | Self-assembling systems theory and simulation |
| title_full | Self-assembling systems theory and simulation edited by Li-Tang Yan, Department of Chemical Engineering, Tsinghua University, China |
| title_fullStr | Self-assembling systems theory and simulation edited by Li-Tang Yan, Department of Chemical Engineering, Tsinghua University, China |
| title_full_unstemmed | Self-assembling systems theory and simulation edited by Li-Tang Yan, Department of Chemical Engineering, Tsinghua University, China |
| title_short | Self-assembling systems |
| title_sort | self assembling systems theory and simulation |
| title_sub | theory and simulation |
| topic | Colloidal crystals fast Polymers fast Self-assembly (Chemistry) fast SCIENCE / Chemistry / Organic bisacsh Chemie Self-assembly (Chemistry) Colloidal crystals Polymers |
| topic_facet | Colloidal crystals Polymers Self-assembly (Chemistry) SCIENCE / Chemistry / Organic Chemie |
| url | https://onlinelibrary.wiley.com/doi/book/10.1002/9781119113171 |
| work_keys_str_mv | AT yanlitang selfassemblingsystemstheoryandsimulation |