고분자 시스템의 분자 동역학 시뮬레이션: 아크릴계 감압 점착제(PSA)의 알킬 측쇄에 의한 내부 가소화 및 TPE 필름의 기판 유도 결정 배향 연구
Molecular Dynamics Simulations of Polymer Systems: Alkyl Sidechain Induced Internal Plasticization of Acrylic PSAs and Substrate Induced Crystal Orientation of TPE Films
- 주제(키워드) Molecular Dynamics(MD) Simulation , Acrylic Pressure Sensitive Adhesives (PSAs) , Alkyl Sidechain , Internal Plasticization , Thermoplastic Elastomer (TPE) , Substrate Induced , Crystal Orientation
- 발행기관 서강대학교 일반대학원
- 지도교수 성봉준
- 발행년도 2026
- 학위수여년월 2026. 2
- 학위명 석사
- 학과 및 전공 일반대학원 화학과
- 실제URI http://www.dcollection.net/handler/sogang/000000082807
- UCI I804:11029-000000082807
- 본문언어 영어
- 저작권 논문은 저작권에 의해 보호받습니다.
목차
Abstract v
1 Structure-Property Relationship: The Effect of Sidechain Length on the Molec-
ular Mobility and Frictional Behavior of Acrylic PSAs 1
1.1 Introduction 1
1.2 Model and Methods 5
1.3 Data and Results 10
1.3.1 Macroscopic Rheological Behavior: Creep Response and Viscosity 10
1.3.2 Thermodynamic Origins: Free Volume Expansion and Glass Tran-
sition 12
1.3.3 Structural Rearrangement: Contrasting Conformational Behavior
and Packing 16
1.3.4 Side Chain-Dominated Dynamics and Friction Change 19
1.4 Summary and Conclusions 22
1.5 References 22
2 Molecular Dynamics Simulations of Substrate Induced Crystal Orientation
Control in TPE Films 29
2.1 Introduction 29
2.2 Model and Methods 32
2.2.1 System Description 32
2.2.2 Interaction Potentials and Force Fields 33
2.2.3 Simulation Environment and Thin Film Fabrication 34
2.2.4 Crystallinity and Structural Orientation Analysis 36
2.3 Data and Results 37
2.3.1 Analysis of System Microstructure and Crystallization Kinetics 37
2.3.2 Changes in Thermodynamic and Structural Properties During Cool-
ing 40
2.3.3 Surface Characteristics and Interfacial Analysis at Equilibrium 44
2.4 Summary and Conclusions 51
2.5 References 53
