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

Polymers: Molecular Weight Distribution01:10

Polymers: Molecular Weight Distribution

3.2K
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.
3.2K
Polymers: Defining Molecular Weight01:01

Polymers: Defining Molecular Weight

2.8K
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...
2.8K
Molecular Weight of Step-Growth Polymers01:08

Molecular Weight of Step-Growth Polymers

2.1K
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...
2.1K
Radical Chain-Growth Polymerization: Chain Branching01:17

Radical Chain-Growth Polymerization: Chain Branching

1.9K
The skeletal structure of polymers synthesized via radical polymerization is always branched. For example, the polymerization of ethylene by radical polymerization results in a low-density grade of polyethylene with a heavily branched skeletal structure. Here, the radical site abstracts hydrogen from the growing chain, and the radical site shifts from the end (a primary carbon center) to anywhere within the growing chain (a secondary carbon center). Consequently, the part of the chain from the...
1.9K
Molecular Geometry and Dipole Moments02:36

Molecular Geometry and Dipole Moments

12.6K
The VSEPR theory can be used to determine the electron pair geometries and molecular structures as follows:
12.6K
Molecular Shape and Polarity03:37

Molecular Shape and Polarity

59.6K
Dipole Moment of a Molecule
59.6K

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

Linear Free Energy Relationship for Predicting the Rate Constants of Munition Compound Reduction by the Fe(II)-Hematite and Fe(II)-Goethite Redox Couples.

Environmental science & technology·2023
Same author

Thermodynamic Two-Site Surface Reaction Model for Predicting Munition Constituent Reduction Kinetics with Iron (Oxyhydr)oxides.

Environmental science & technology·2023
Same author

Electron Transfer Energy and Hydrogen Atom Transfer Energy-Based Linear Free Energy Relationships for Predicting the Rate Constants of Munition Constituent Reduction by Hydroquinones.

Environmental science & technology·2023
Same author

Impact of changes in protective behaviors and out-of-household activities by age on COVID-19 transmission and hospitalization in Chicago, Illinois.

Annals of epidemiology·2022
Same author

Modeling the Reduction Kinetics of Munition Compounds by Humic Acids.

Environmental science & technology·2022
Same author

A Unified Linear Free Energy Relationship for Abiotic Reduction Rate of Nitroaromatics and Hydroquinones Using Quantum Chemically Estimated Energies.

Environmental toxicology and chemistry·2020

相关实验视频

Updated: May 31, 2025

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
12:11

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry

Published on: April 8, 2020

8.1K

量子化学计算的亚伯拉罕参数用于量化和预测聚合物疏水性.

Kevin P Hickey1, Margaret M MacDonell1, Kurt C Picel1

  • 1Environmental Science Division, Argonne National Laboratory, Lemont, IL, United States.

Environmental toxicology and chemistry
|January 23, 2025
PubMed
概括

这项研究引入了一个量子化学模型来预测聚合物流动性和环境命运. 该模型准确地估计了疏水性,有助于设计环保塑料并了解污染物相互作用.

科学领域:

  • 环境化学环境化学
  • 材料科学 材料科学 材料科学
  • 计算化学的计算化学

背景情况:

  • 塑料污染对环境构成重大风险.
  • 开发对环境无害的材料至关重要.
  • 预测聚合物的环境行为是具有挑战性的.

研究的目的:

  • 开发一种基于量子化学的模型,用于预测聚合物流动性.
  • 使用疏水性作为环境分区的替代品.
  • 为了实现设计更绿色的聚合物.

主要方法:

  • 调整了一个量子化学计算的亚伯拉罕参数模型.
  • 从分子结构计算了亚伯拉罕参数.
  • 使用八醇-水分区系数 (KOW),可溶性参数和尼罗河红色染色的验证预测.

主要成果:

  • 预测的聚合物重复单位KOW,根平均平方误差 (RMSE) 为0.48 (日志尺度).
  • 溶解度参数达到1.21 (J/cc) 的RMSE,0.5和尼罗河红色染色的3.42nm.
  • 成功预测了环境应用的相对吸附能力.

结论:

关键词:
吸附吸附是一种吸附.环境建模环境建模环境分区环境分区命运和运输的运输方式八醇-水分区系数的分配系数

更多相关视频

Author Spotlight: In Silico Creation and Impact of Carbonylated Amino Acids on Protein Structure and Function
05:57

Author Spotlight: In Silico Creation and Impact of Carbonylated Amino Acids on Protein Structure and Function

Published on: April 26, 2024

313
Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
08:04

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids

Published on: May 27, 2020

8.3K

相关实验视频

Last Updated: May 31, 2025

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
12:11

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry

Published on: April 8, 2020

8.1K
Author Spotlight: In Silico Creation and Impact of Carbonylated Amino Acids on Protein Structure and Function
05:57

Author Spotlight: In Silico Creation and Impact of Carbonylated Amino Acids on Protein Structure and Function

Published on: April 26, 2024

313
Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids
08:04

Excitonic Hamiltonians for Calculating Optical Absorption Spectra and Optoelectronic Properties of Molecular Aggregates and Solids

Published on: May 27, 2020

8.3K
  • 开发的模型准确地从分子结构中预测了聚合物的疏水性和流动性.
  • 这种方法有助于设计和选择环保的聚合物.
  • 该模型有助于理解聚合物环境相互作用和污染物吸附.