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相关概念视频

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
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
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
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
Olefin Metathesis Polymerization: Ring-Opening Metathesis Polymerization (ROMP)01:16

Olefin Metathesis Polymerization: Ring-Opening Metathesis Polymerization (ROMP)

2.5K
Ring-opening metathesis polymerization or ROMP involves strained cycloalkenes as starting materials. The mechanism of ROMP proceeds by reacting cycloalkene with Grubbs catalyst to give metallacyclobutane intermediate which undergoes a ring-opening reaction to form new carbene. The new carbene reacts with another molecule of cycloalkene. Repetition of these steps leads to the formation of an unsaturated open-chain polymer product. All these steps are reversible, however, relieving the ring...
2.5K
Polymers02:34

Polymers

35.5K
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...
35.5K

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相关实验视频

Updated: Jun 14, 2025

Author Spotlight: Advancing Cell Membrane Biophysics - Exploring Interactions and Challenges Through Experimental and Computational Approaches
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Author Spotlight: Advancing Cell Membrane Biophysics - Exploring Interactions and Challenges Through Experimental and Computational Approaches

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GMXPolymer:一个基于GROMACS的生成聚合算法.

Jianchuan Liu1, Haiyan Lin1, Xun Li2

  • 1School of Electrical Engineering and Electronic Information, Xihua University, Chengdu, 610039, China.

Journal of molecular modeling
|September 2, 2024
PubMed
概括
此摘要是机器生成的。

本研究介绍了一种使用模拟聚合和分子动力学创建无形聚合物结构的新方法. 基于GROMACS构建的GMXPolymer代码准确地模拟了由实验数据验证的聚合物特性.

关键词:
债券 债券是一种债券.农作物 农作物是什么模拟MD的模拟方法聚合物的聚合物.聚合方式的聚合.

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Author Spotlight: Streamlining Visual Dynamics to Simplify Molecular Dynamics Simulations Using Gromacs
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Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
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Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry

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相关实验视频

Last Updated: Jun 14, 2025

Author Spotlight: Advancing Cell Membrane Biophysics - Exploring Interactions and Challenges Through Experimental and Computational Approaches
07:31

Author Spotlight: Advancing Cell Membrane Biophysics - Exploring Interactions and Challenges Through Experimental and Computational Approaches

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Author Spotlight: Streamlining Visual Dynamics to Simplify Molecular Dynamics Simulations Using Gromacs
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Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
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Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry

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科学领域:

  • 聚合物科学 聚合物科学
  • 计算化学计算化学
  • 材料科学 材料科学 材料科学

背景情况:

  • 产生准确的无形聚合物结构对于理解材料特性至关重要.
  • 现有的方法可能缺乏灵活性来模拟多样化的聚合物化学.
  • 模拟聚合提供了构建复杂聚合物架构的途径.

研究的目的:

  • 引入和验证一种新的计算方法,用于生成无形聚合物的通用结构.
  • 为模拟聚合物形成提供一个用户友好的工具 (GMXPolymer).
  • 为了证明该方法对各种玻璃型聚合物的适用性.

主要方法:

  • 使用模拟的聚合和分子动力学平衡.
  • 实现GMXPolymer算法,该算法与GROMACS包进行接口.
  • 在聚合过程中动态生成和更新拓 (ITP) 文件.

主要成果:

  • 成功地为各种无形聚合物生成了通用结构.
  • 模拟结果与实验数据之间的结构和热性质之间表现出了很好的一致性.
  • 验证了该方法在不同功能的聚合物,极性和刚性的可靠性.

结论:

  • 开发的方法为模拟无形聚合物结构提供了强大而准确的方法.
  • 聚合物及其相关算法为聚合物研究提供了有价值的工具.
  • 计算建模有助于预测和理解聚合物行为.