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相关概念视频

Polymers: Molecular Weight Distribution01:10

Polymers: Molecular Weight Distribution

3.4K
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.
3.4K
Polymers02:34

Polymers

35.7K
The word polymer is derived from the Greek words “poly” which means “many” and “mer” which means “parts”. Polymers are long chains of molecules composed of repeating units of smaller molecules, known as monomers. They either occur naturally, such as DNA and proteins, or can be constructed synthetically, like plastics. They have varied structural characteristics, such as linear chains, branched chains, or complex networks, that contribute to the...
35.7K
Characteristics and Nomenclature of Homopolymers01:00

Characteristics and Nomenclature of Homopolymers

3.0K
Polymers that are made up of identical monomer units are called homopolymers. Only one repeating unit is involved in the construction of the homopolymer structure. For example, as depicted in Figure 1, polypropylene is a homopolymer constituted of propylene monomers. Here, the only repeating unit in the polymer chain is propylene.
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Polymers: Defining Molecular Weight01:01

Polymers: Defining Molecular Weight

2.9K
Unlike small molecules with definite molecular weights, polymers are a mixture of individual polymer chains of varying lengths, each with a unique molecular weight.  So, the molecular weight of a polymer is expressed as an average value based on the average size of the polymer chains. The two most common forms of averages used for polymers are the number average molecular weight and weight average molecular weight.
The number average molecular weight (Mn) is the summation of the number...
2.9K
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
Radical Chain-Growth Polymerization: Overview01:10

Radical Chain-Growth Polymerization: Overview

2.4K
Chain-growth or addition polymerization is successive addition reactions of monomers with a polymer chain. In radical chain-growth polymerization, the reaction proceeds via a free-radical intermediate. The free radical is formed from radical initiators, which spontaneously generate free radicals by homolytic fission. Organic peroxides (such as dibenzoyl peroxide, as shown in Figure 1) or azo compounds are popular radical initiators. A low concentration ratio of radical initiator to monomer is...
2.4K

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相关实验视频

Updated: Jul 4, 2025

DNA Nanotubes as a Versatile Tool to Study Semiflexible Polymers
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DNA Nanotubes as a Versatile Tool to Study Semiflexible Polymers

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在开放力场框架内,一般有机聚合物的参数化.

Connor M Davel1, Timotej Bernat1, Jeffrey R Wagner2

  • 1Department of Chemical and Biological Engineering, University of Colorado Boulder, Boulder, Colorado 80309, United States.

Journal of chemical information and modeling
|February 2, 2024
PubMed
概括

使用开放力场工具包的新工作流使灵活的聚合物模拟成为可能. 这种方法解决了用于准确分子建模的大型复杂聚合物和生物聚合物系统参数化的挑战.

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.
  • 生物物理学的生物物理.

背景情况:

  • 传统的分子模拟工作流与聚合物和生物聚合物参数化作斗争,原因是PDB等标准格式中的化学信息不足.
  • 聚合物大小阻碍了准确的部分电荷生成,使模拟准备复杂化.

研究的目的:

  • 为有机聚合物和软材料开发一个灵活和全面的分子模拟工作流.
  • 引入单体信息的新输入规范,以促进参数化和模拟.

主要方法:

  • 通过开放力场工具包利用了直接的化学感知.
  • 开发了一个新的单体输入规范,使用SMIRKS进行化学识别和电荷分配.
  • 集成自动部分充电生成方法用于大型系统.
  • 参数化的多种系统包括蛋白质,DNA,同聚合物和糖.

主要成果:

  • 使用开放力场工具包成功对各种聚合物系统进行了参数化.
  • 演示了模拟和对聚乙烯甘醇,聚烯胺和聚烯胺-N-异烯胺的属性预测的开始到结束的工作流.
  • 计算形状属性和辐射分布函数,将它们与现有的模拟数据进行比较.

结论:

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Covalent Attachment of Single Molecules for AFM-based Force Spectroscopy
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Covalent Attachment of Single Molecules for AFM-based Force Spectroscopy

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DNA Nanotubes as a Versatile Tool to Study Semiflexible Polymers
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Covalent Attachment of Single Molecules for AFM-based Force Spectroscopy
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  • 拟议的工作流程和单体规范有效地对软物质系统进行参数化和模拟.
  • 这种方法大大加快了软物质模拟中的计算研究.
  • 建立了一个强大的原子级聚合物规范,与现有的符号相兼容.