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相关概念视频

Solubility of Ionic Compounds02:55

Solubility of Ionic Compounds

64.2K
Solubility is the measure of the maximum amount of solute that can be dissolved in a given quantity of solvent at a given temperature and pressure. Solubility is usually measured in molarity (M) or moles per liter (mol/L). A compound is termed soluble if it dissolves in water.
64.2K
Physical Properties Affecting Solubility02:19

Physical Properties Affecting Solubility

23.5K
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...
23.5K
Solubility Equilibria03:07

Solubility Equilibria

53.3K
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...
53.3K
Solubility Equilibria: Overview01:09

Solubility Equilibria: Overview

895
When a substance such as sodium chloride is added to water, it dissolves, forming an aqueous solution. The extent of dissolution is called solubility. The process of dissolution can exist in equilibrium, just like other chemical processes. Solubility equilibria are also called precipitation equilibria because the process of solubility can be reversible. The reverse of the solubility process is called precipitation.
Solubility is important in biological and environmental processes. A notable...
895
Chemical and Solubility Equilibria02:21

Chemical and Solubility Equilibria

4.2K
The free energy change associated with dissolving a solute in a liter of solvent is called the free energy of a solution, ΔGsolution. The overall ΔGsolution is expressed as the balance of ΔGinteraction against the always-favorable free-energy of mixing, ΔGmixing. Solution formation is favorable if  ΔGsolution is less than zero, whereas it is unfavorable if ΔGsolution is greater than zero. In short, for a solution to form and complete dissolution to take place,...
4.2K
Factors Affecting Solubility04:01

Factors Affecting Solubility

33.9K
Compared with pure water, the solubility of an ionic compound is less in aqueous solutions containing a common ion (one also produced by dissolution of the ionic compound). This is an example of a phenomenon known as the common ion effect, which is a consequence of the law of mass action that may be explained using Le Chȃtelier’s principle. Consider the dissolution of silver iodide:
33.9K

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From Molecules to Materials: Engineering New Ionic Liquid Crystals Through Halogen Bonding
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深度学习模型用于预测CO2在基于伊米达的离子液体中的溶解度.

Amir Hossein Sheikhshoaei1, Ali Sanati2, Ali Khoshsima1

  • 1Faculty of Petroleum and Chemical Engineering, Hakim Sabzevari University, Sabzevar, Iran.

Scientific reports
|July 21, 2025
PubMed
概括

深度学习模型可以准确地预测二氧化碳在离子液体中的可溶性. 增长网络模型表现最好,优于传统的SAFT模型,并将压力确定为关键影响因素.

关键词:
二氧化碳的可溶性深度学习是一种深度学习.在GrowNet的成长中.基于伊米达的离子液体.在 TabNet TabNet 里面.

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科学领域:

  • 化学工程是化学工程的重要组成部分.
  • 计算化学的计算化学

背景情况:

  • 准确预测二氧化碳在离子液体中的可溶性对于碳捕获技术至关重要.
  • 基于伊米达的离子液体是有前途的溶剂,但它们的热力学特性需要强大的预测模型.

研究的目的:

  • 开发和比较深度学习模型,用于预测二氧化碳在基于伊米达的离子液体中的溶解度.
  • 评估各种机器学习算法的性能与已建立的物理模型对比.

主要方法:

  • 利用深度学习模型,包括贝叶斯神经网络 (BNN),深度神经网络 (DNN),梯度增强神经网络 (GrowNet),表格神经网络 (TabNet),随机森林 (RF) 和支持向量回归 (SVR).
  • 输入参数包括临界压力,临界温度,分子量和离心因子.
  • 与两个PC-SAFT模型 (cQC-PC-SAFT-MSA (1) 和cQC-PC-SAFT-MSA (2)) 进行模型性能比较.

主要成果:

  • 与PC-SAFT模型相比,深度学习模型显示出更高的性能.
  • GrowNet模型实现了最小的误差,根平均平方误差 (RMSE) 为0.0073和确定系数 (R2) 为0.9962.
  • 沙普利添加剂描述 (SHAP) 和皮尔森相关系数 (PCC) 分析确定压力 (P) 是影响二氧化碳溶解度的最重要的参数.

结论:

  • 深度学习,特别是GrowNet模型,提供了一种非常准确的方法来预测二氧化碳在基于伊米达的离子液体中的溶解度.
  • 了解压力等特定参数的影响对于优化使用离子液体的二氧化碳捕获过程至关重要.