Jove
Visualize
联系我们
JoVE
x logofacebook logolinkedin logoyoutube logo
关于 JoVE
概览领导团队博客JoVE 帮助中心
作者
出版流程编辑委员会范围与政策同行评审常见问题投稿
图书馆员
用户评价订阅访问资源图书馆顾问委员会常见问题
研究
JoVE JournalMethods CollectionsJoVE Encyclopedia of Experiments存档
教育
JoVE CoreJoVE BusinessJoVE Science EducationJoVE Lab Manual教师资源中心教师网站
使用条款与条件
隐私政策
政策

相关概念视频

Polymer Classification: Stereospecificity01:26

Polymer Classification: Stereospecificity

3.1K
Polymerization generates chiral centers along the entire backbone of a polymer chain. Accordingly, the stereochemistry of the substituent group has a significant effect on polymer properties. Polymers formed from monosubstituted alkene monomers feature chiral carbons at every alternate position in the polymer backbone. Relative to the predominant orientation of substituents at the adjacent chiral carbons, the polymer can exist in three different configurations: isotactic, syndiotactic, and...
3.1K
Molecular Weight of Step-Growth Polymers01:08

Molecular Weight of Step-Growth Polymers

2.7K
Step growth polymerization involves bi or multifunctional monomers. Bifunctional monomers react to form linear step growth polymers, whereas multifunctional monomers react to form non-linear or branched polymers.
As the step-growth polymerization involves step-wise condensation of monomers, the molecular weight also builds up eventually. Consequently, high molecular weight polymers are obtained at the late stages of the polymerization, where 99% of monomers have been consumed.
The extent of the...
2.7K
Step-Growth Polymerization: Overview01:03

Step-Growth Polymerization: Overview

4.3K
Step-growth or condensation polymerization is a stepwise reaction of bi or multifunctional monomers to form long-chain polymers. As all the monomers are reactive, most of the monomers are consumed at the early stages of the reaction to form small chains of reactive oligomers, which then combine to form long polymer chains in the late stages. Hence, the reaction has to proceed for a long time to achieve high molecular weight polymers.
Many natural and synthetic polymers are produced by...
4.3K
Types of Step-Growth Polymers: Polyesters01:20

Types of Step-Growth Polymers: Polyesters

2.5K
The introduction of polyesters has brought major development to the textile industry. The wrinkle-free behavior of polyester blends has eliminated the need for starching and ironing clothes.
Polyesters are commonly prepared from terephthalic acid and ethylene glycol; the crude product is known as poly(ethylene terephthalate) or PET. However, polyesters are synthesized industrially by transesterification of dimethyl terephthalate with ethylene glycol at 150 °C. The two reactants and the polymer...
2.5K

您也可能阅读

相关文章

通过共同作者、期刊和引用图与本文相关的文章。

排序
Same author

Self-Assembly of Binary Nanocrystals Grafted with End-Functionalized Polymers: A Molecular Dynamics Simulation Study.

The journal of physical chemistry. B·2026
Same author

Dictating orientation diversity of body-centered cubic superlattices in the self-assembly of polymer-grafted nanocubes through heterogeneous grafting designs.

Nanoscale·2026
Same author

Molecular dynamics simulation of self-assembly of one-component nanocrystals grafted with end-functionalized polymers.

Soft matter·2026
Same author

Temperature-dependent local and global dynamics of atactic polystyrene: A coarse-grained molecular dynamics simulation study.

The Journal of chemical physics·2025
Same author

Well-Defined Homopolymer Nanoparticles with Uniaxial Molecular Orientation by Synchronized Polymerization and Self-Assembly.

Journal of the American Chemical Society·2024
Same author

Nonequilibrium Behaviors of Entangled Diblock Copolymers at the Entangled Polymer-Polymer Interface under Steady Shear Flow.

The journal of physical chemistry. B·2023

相关实验视频

Updated: Jan 16, 2026

Grafting Multiwalled Carbon Nanotubes with Polystyrene to Enable Self-Assembly and Anisotropic Patchiness
11:09

Grafting Multiwalled Carbon Nanotubes with Polystyrene to Enable Self-Assembly and Anisotropic Patchiness

Published on: April 1, 2018

8.5K

机器学习辅助的聚乙烯多目标粗粒度策略

Jiaxian Zhang1,2, Hongxia Guo1,2

  • 1Beijing National Laboratory For Molecular Sciences, Joint Laboratory of Polymer Sciences and Materials, State Key Laboratory of Polymer Physics and Chemistry, Institute of Chemistry Chinese Academy of Sciences, Beijing, China.

Macromolecular rapid communications
|October 1, 2025
PubMed
概括

我们开发了一种机器学习策略,为聚合物创建精确的粗粒度 (CG) 模型. 这种方法确保了结构,热力学和动态的一致性,改进了聚合物模拟.

关键词:
模拟MD的模拟方法粗粒度模型的粗粒度模型机器学习是机器学习.聚乙烯是一种聚乙烯.

更多相关视频

Using Polystyrene-block-polyacrylic acid-coated Metal Nanoparticles as Monomers for Their Homo- and Co-polymerization
09:02

Using Polystyrene-block-polyacrylic acid-coated Metal Nanoparticles as Monomers for Their Homo- and Co-polymerization

Published on: July 9, 2015

12.8K
A Facile and Eco-friendly Route to Fabricate PolyLactic Acid Scaffolds with Graded Pore Size
13:46

A Facile and Eco-friendly Route to Fabricate PolyLactic Acid Scaffolds with Graded Pore Size

Published on: October 17, 2016

9.1K

相关实验视频

Last Updated: Jan 16, 2026

Grafting Multiwalled Carbon Nanotubes with Polystyrene to Enable Self-Assembly and Anisotropic Patchiness
11:09

Grafting Multiwalled Carbon Nanotubes with Polystyrene to Enable Self-Assembly and Anisotropic Patchiness

Published on: April 1, 2018

8.5K
Using Polystyrene-block-polyacrylic acid-coated Metal Nanoparticles as Monomers for Their Homo- and Co-polymerization
09:02

Using Polystyrene-block-polyacrylic acid-coated Metal Nanoparticles as Monomers for Their Homo- and Co-polymerization

Published on: July 9, 2015

12.8K
A Facile and Eco-friendly Route to Fabricate PolyLactic Acid Scaffolds with Graded Pore Size
13:46

A Facile and Eco-friendly Route to Fabricate PolyLactic Acid Scaffolds with Graded Pore Size

Published on: October 17, 2016

9.1K

科学领域:

  • 计算化学是一种计算化学.
  • 材料科学是一种材料科学.
  • 聚合物物理 聚合物物理

背景情况:

  • 粗粒度 (CG) 分子动力学对于弥合原子模拟和宏观实验至关重要.
  • 开发具有同时结构,热力学和动态一致性的CG模型是一个重大挑战.

研究的目的:

  • 介绍一种机器学习辅助的多目标参数化策略,用于对抗性聚乙烯 (PS).
  • 通过在优化中包含扩散系数来构建一个动态一致的CG模型.

主要方法:

  • 使用了对聚钢的 2:1 映射方案.
  • 集成支向量回归 (SVR) 和粒子集群优化 (PSO) 以优化莱纳德-斯参数.
  • 优化参数以复制原子级辐射分布函数,密度,凝聚性能量密度和自我扩散系数.

主要成果:

  • 在多个可观测的CG力场和全原子 (AA) 模拟之间取得了显著的一致性.
  • 成功复制了聚烯的结构,热力学和动态特性.
  • 证明了将扩散系数用于动态一致性的有效性.

结论:

  • 开发的战略为预测性聚合物建模建立了一个强大的框架.
  • 这种方法可以扩展到材料发现和合理的聚合物设计.
  • 机器学习辅助的方法提高了粗粒度模型的准确性和可靠性.