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相关概念视频

Characteristics and Nomenclature of Copolymers01:24

Characteristics and Nomenclature of Copolymers

2.5K
Copolymers are the products obtained from the polymerization of multiple monomer species. So, in a polymer chain itself, there can be multiple repeating units that come from different monomers. The process of synthesizing a polymer from different monomer species is called copolymerization. When two monomers are involved, the polymer is known as a bipolymer. Polymers with three and four monomers are termed terpolymers and quaterpolymers, respectively. Figure 1 depicts the copolymerization of...
2.5K
Molecular Weight of Step-Growth Polymers01:08

Molecular Weight of Step-Growth Polymers

2.2K
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...
2.2K
Step-Growth Polymerization: Overview01:03

Step-Growth Polymerization: Overview

3.4K
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...
3.4K
Cationic Chain-Growth Polymerization: Mechanism00:57

Cationic Chain-Growth Polymerization: Mechanism

2.3K
The cationic polymerization mechanism consists of three steps: initiation, propagation, and termination. In the initiation step of the polymerization process, the π bond of a monomer gets protonated by the Lewis acid catalyst, which is formed from boron trifluoride and water. The protonation of the π bond generates a carbocation stabilized by the electron‐donating group. In the propagation step, the π bond of the second monomer acts as a nucleophile and attacks the...
2.3K
Polymers: Molecular Weight Distribution01:10

Polymers: Molecular Weight Distribution

3.3K
For any given polymer, the weight average molecular weight (Mw) is higher than, if not equal to, the number average molecular weight (Mn). The only situation in which the weight average molecular weight and the number average molecular weight are equal is when a polymer consists only of chains with equal molecular weight. However, this never happens in a synthetic polymer, since it is difficult to control the polymerization process up to a molecular level with accuracy to a hundred percent.
3.3K
Polymer Classification: Crystallinity01:21

Polymer Classification: Crystallinity

2.8K
Unlike ionic or small covalent molecules, polymers do not form crystalline solids due to the diffusion limitations of their long-chain structures. However, polymers contain microscopic crystalline domains separated by amorphous domains.
Crystalline domains are the regions where polymer chains are aligned in an orderly manner and held together in proximity by intermolecular forces. For example, chains in the crystalline domains of polyethylene and nylon are bound together by van der Waals...
2.8K

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相关实验视频

Updated: Jun 17, 2025

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

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区块共聚物阶段行为数据库.

Nathan J Rebello1, Akash Arora1, Hidenobu Mochigase1

  • 1Department of Chemical Engineering, Massachusetts Institute of Technology, 77 Massachusetts Avenue, Cambridge, Massachusetts 02139, United States.

Journal of chemical information and modeling
|August 10, 2024
PubMed
概括
此摘要是机器生成的。

区块共聚合物数据库 (BCDB) 为区块共聚合物数据提供了一个统一的平台,包括实验测量和模拟结果. 它利用BigSMILES和AI来提高数据可访问性,并促进机器学习模型培训.

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Anionic Polymerization of an Amphiphilic Copolymer for Preparation of Block Copolymer Micelles Stabilized by π-π Stacking Interactions
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Synthesis of Monodisperse Cylindrical Nanoparticles via Crystallization-driven Self-assembly of Biodegradable Block Copolymers
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Anionic Polymerization of an Amphiphilic Copolymer for Preparation of Block Copolymer Micelles Stabilized by π-π Stacking Interactions
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Anionic Polymerization of an Amphiphilic Copolymer for Preparation of Block Copolymer Micelles Stabilized by π-π Stacking Interactions

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Synthesis of Monodisperse Cylindrical Nanoparticles via Crystallization-driven Self-assembly of Biodegradable Block Copolymers
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科学领域:

  • 聚合物科学 聚合物科学
  • 材料 信息学 信息学
  • 计算化学计算化学

背景情况:

  • 缺乏用于块共聚合物自组装数据的标准化数据模型.
  • 需要可访问的实验和模拟数据,用于聚合物研究.
  • 策划和整合多样化的聚合物数据集的挑战.

研究的目的:

  • 介绍区块共聚合物数据库 (BCDB),作为区块共聚合物数据的全面资源.
  • 为区块共聚合物自组装信息建立一个新的数据方案.
  • 促进聚合物科学中的数据共享,分析和机器学习应用.

主要方法:

  • 开发一个新的数据图,容纳各种块共聚合物结构.
  • 从文献中收集数据,并集成自相一致的场理论模拟数据.
  • 实施用于化学结构编码的BigSMILES和用于高级搜索的SMARTS.
  • 使用SQL查询特征和阶段信息.
  • 使用GPT-4进行自动化文献选和数据识别.

主要成果:

  • BCDB包含超过5400个实验融化相测量和模拟数据点.
  • 数据库支持按重复单位,功能组和相位信息进行搜索.
  • 使用GPT-4的协议在识别相关文献方面获得了F1得分0.74.
  • 数据可以下载用于机器学习模型培训.

结论:

  • BCDB为区块共聚合物数据提供了一个关键的,可访问的平台,桥接实验和模拟研究.
  • 开发的数据模式和搜索功能提高了数据的可发现性和可用性.
  • 人工智能驱动的文献选加速了数据库的扩展和数据采集.