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相关概念视频

Solution Formation02:16

Solution Formation

31.3K
There is no one solvent that can dissolve every type of solute. Some substances that readily dissolve in a certain solvent might be insoluble in a different solvent. A simple way to predict which substances dissolve in which solvent is the phrase "like dissolves like". This means that polar substances, such as salt and sugar, dissolve in a polar substance like water. In contrast, non-polar substances are more soluble in non-polar solvents such as carbon tetrachloride.
This selective...
31.3K
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
Solubility Equilibria03:07

Solubility Equilibria

52.1K
Solubility equilibria are established when the dissolution and precipitation of a solute species occur at equal rates. These equilibria underlie many natural and technological processes, ranging from tooth decay to water purification. An understanding of the factors affecting compound solubility is, therefore, essential to the effective management of these processes. This section applies previously introduced equilibrium concepts and tools to systems involving dissolution and precipitation.
The...
52.1K
Entropy and Solvation02:05

Entropy and Solvation

7.0K
The process of surrounding a solute with solvent is called solvation. It involves evenly distributing the solute within the solvent. The rule of thumb for determining a solvent for a given compound is that like dissolves like. A good solvent has molecular characteristics similar to those of the compound to be dissolved. For example, polar solutions dissolve polar solutes, and apolar solvents dissolve apolar solutes. A polar solvent is a solvent that has a high dielectric constant (ϵ...
7.0K
Physical Properties Affecting Solubility02:19

Physical Properties Affecting Solubility

22.5K
Solutions of Gases in Liquids
As for any solution, the solubility of a gas in a liquid is affected by the attractive intermolecular forces between solute and solvent species. Unlike solid and liquid solutes, however, there is no solute-solute intermolecular attraction to overcome when a gaseous solute dissolves in a liquid solvent since the atoms or molecules comprising a gas are far separated and experience negligible interactions. Consequently, solute-solvent interactions are the sole...
22.5K
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

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相关实验视频

Updated: Jun 5, 2025

Synthesis of Terpolymers at Mild Temperatures Using Dynamic Sulfur Bonds in PolyS-Divinylbenzene
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Synthesis of Terpolymers at Mild Temperatures Using Dynamic Sulfur Bonds in PolyS-Divinylbenzene

Published on: May 20, 2019

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机器学习模型用于预测不同度和温度的聚合物在溶剂中的溶解度.

Mona Amrihesari1, Joseph Kern2, Hilary Present3

  • 1School of Chemical and Biomolecular Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332, United States.

The journal of physical chemistry. B
|December 12, 2024
PubMed
概括

这项研究引入了一个新的数据集和模型来预测聚合物溶解度,提高材料设计. 这种先进的模型提供了比以前的方法更详细的可溶性分类.

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Solubility of Hydrophobic Compounds in Aqueous Solution Using Combinations of Self-assembling Peptide and Amino Acid
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Solubility of Hydrophobic Compounds in Aqueous Solution Using Combinations of Self-assembling Peptide and Amino Acid

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Unraveling Entropic Rate Acceleration Induced by Solvent Dynamics in Membrane Enzymes
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Unraveling Entropic Rate Acceleration Induced by Solvent Dynamics in Membrane Enzymes

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Last Updated: Jun 5, 2025

Synthesis of Terpolymers at Mild Temperatures Using Dynamic Sulfur Bonds in PolyS-Divinylbenzene
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Synthesis of Terpolymers at Mild Temperatures Using Dynamic Sulfur Bonds in PolyS-Divinylbenzene

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Solubility of Hydrophobic Compounds in Aqueous Solution Using Combinations of Self-assembling Peptide and Amino Acid
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Unraveling Entropic Rate Acceleration Induced by Solvent Dynamics in Membrane Enzymes
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科学领域:

  • 材料科学 材料科学 材料科学
  • 聚合物化学 聚合物化学
  • 计算化学的计算化学

背景情况:

  • 人工智能 (AI) 和机器学习 (ML) 对于加速新材料设计至关重要.
  • 聚合物溶解性是开发新配方和加工技术的关键性质.
  • 现有的聚合物溶解性的预测模型受到实验数据不足的限制.

研究的目的:

  • 使用Crystal16的度测量,开发一个增强的聚合物溶液行为数据集.
  • 训练一种能够在各种条件下预测聚合物溶液行为的预测模型.
  • 为了更好的预测颗粒度,将聚合物/溶剂对分为三个不同的可溶性类别.

主要方法:

  • 使用Crystal16的度测量,收集了各种聚合物溶液的高质量百分比传输数据.
  • 开发并训练了一种AI/ML模型,使用生成的数据集来预测在多种温度和度下传输数据.
  • 基于预测的溶解度分类的聚合物/溶剂对,超越了二元溶剂/不溶剂分类.

主要成果:

  • 创建了一个全面的聚合物溶液行为数据集,包括各种聚合物,溶剂,度和温度.
  • 成功训练了一个准确预测实验传输数据的模型.
  • 实现了三类可溶性分类,与以前的二进制模型相比,提供了更详细的细节.

结论:

  • 开发的数据集和预测模型显著提高了预测聚合物可溶性的能力.
  • 该模型能够处理多重度,温度和部分可溶性,这对于工业应用非常有价值.
  • 这项工作为配方人员和工艺设计人员提供了一种更加细致和实用的方法来预测可溶性.