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

Volatilization01:10

Volatilization

383
Volatilization gravimetry is an analytical technique that measures the mass lost due to the volatilization of the substance. This technique is used to estimate the amount of volatile material in a sample. To perform this method, heat a known amount of the sample to a high temperature in a crucible or other suitable vessel. The volatile substance in the sample evaporates, and the vapor is completely expelled from the crucible either by heating the sample or bubbling a stream of inert gas through...
383
Phase Transitions: Vaporization and Condensation02:39

Phase Transitions: Vaporization and Condensation

17.6K
The physical form of a substance changes on changing its temperature. For example, raising the temperature of a liquid causes the liquid to vaporize (convert into vapor). The process is called vaporization—a surface phenomenon. Vaporization occurs when the thermal motion of the molecules overcome the intermolecular forces, and the molecules (at the surface) escape into the gaseous state. When a liquid vaporizes in a closed container, gas molecules cannot escape. As these gas phase...
17.6K
Clausius-Clapeyron Equation02:35

Clausius-Clapeyron Equation

56.7K
The equilibrium between a liquid and its vapor depends on the temperature of the system; a rise in temperature causes a corresponding rise in the vapor pressure of its liquid. The Clausius-Clapeyron equation gives the quantitative relation between a substance’s vapor pressure (P) and its temperature (T); it predicts the rate at which vapor pressure increases per unit increase in temperature.
56.7K
Standard Enthalpy of Formation02:37

Standard Enthalpy of Formation

41.6K
Enthalpy changes are typically tabulated for reactions in which both the reactants and products are at the same conditions. A standard state is a commonly accepted set of conditions used as a reference point for the determination of properties under other different conditions. For chemists, the IUPAC standard state refers to materials under a pressure of 1 bar and solutions at 1 M and does not specify a temperature. Many thermochemical tables list values with a standard state of 1 atm. Because...
41.6K
Distillation: Vapor–Liquid Equilibria01:01

Distillation: Vapor–Liquid Equilibria

2.8K
Distillation is a separation technique that takes advantage of the boiling point properties of disparate elements in a mixture. To perform distillation, we begin by heating a miscible mixture of two liquids with a significant difference in boiling points (at least 20°C). As the solution heats up and reaches the bubble point of the more volatile component, some molecules of the more volatile component transition into the gas phase and travel upward into the condenser, which is a glass tube...
2.8K
Hess's Law03:40

Hess's Law

45.1K
There are two ways to determine the amount of heat involved in a chemical change: measure it experimentally, or calculate it from other experimentally determined enthalpy changes. Some reactions are difficult, if not impossible, to investigate and make accurate measurements for experimentally. And even when a reaction is not hard to perform or measure, it is convenient to be able to determine the heat involved in a reaction without having to perform an experiment.
45.1K

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

Engineered chromogenic proteins with carbohydrate binding modules for advanced textile dyeing.

International journal of biological macromolecules·2026
Same author

Auditory Stimulation of Slow-Wave Sleep Promotes Recovery after Brain Injury in an Animal Model.

Annals of neurology·2026
Same author

N-Succinylated Canonical vs. Dehydropeptides: Contrasting Self-Assembly Pathways and Hydrogel Properties.

Gels (Basel, Switzerland)·2026
Same author

Computational Phenotypic Drug Discovery for Anticancer Chemotherapy: PTML Modeling of Multi-Cell Inhibitors of Colorectal Cancer Cell Lines.

International journal of molecular sciences·2025
Same author

Computational and spectrofluorimetric validation on glyphosate interactions with zebrafish (Danio rerio) acetylcholinesterase: Mechanistic and ecotoxicological implications.

Toxicology in vitro : an international journal published in association with BIBRA·2025
Same author

In Silico Approach for Early Antimalarial Drug Discovery: De Novo Design of Virtual Multi-Strain Antiplasmodial Inhibitors.

Microorganisms·2025

相关实验视频

Updated: Jun 26, 2025

Quantitative Detection of Trace Explosive Vapors by Programmed Temperature Desorption Gas Chromatography-Electron Capture Detector
07:57

Quantitative Detection of Trace Explosive Vapors by Programmed Temperature Desorption Gas Chromatography-Electron Capture Detector

Published on: July 25, 2014

20.0K

数据驱动,可解释的机器学习模型用于预测挥发性有机化合物的标准蒸发度.

José Ferraz-Caetano1, Filipe Teixeira2, M Natália D S Cordeiro1

  • 1LAQV-REQUIMTE - Department of Chemistry and Biochemistry - Faculty of Sciences, University of Porto - Rua do Campo Alegre, S/N, 4169-007, Porto, Portugal.

Chemosphere
|May 8, 2024
PubMed
概括

本研究介绍了一种可解释的机器学习模型,用于预测挥发性有机化合物 (VOC) 的标准蒸发度. 随机森林模型实现了高精度,为实验方法提供了具有成本效益的替代方案.

关键词:
机器学习是机器学习.标准的蒸发度是标准的蒸发度.有监督的学习学习.热化学预测 热化学预测这是一种VOC,可挥发性化合物.

更多相关视频

Construction of Models for Nondestructive Prediction of Ingredient Contents in Blueberries by Near-infrared Spectroscopy Based on HPLC Measurements
10:25

Construction of Models for Nondestructive Prediction of Ingredient Contents in Blueberries by Near-infrared Spectroscopy Based on HPLC Measurements

Published on: June 28, 2016

10.6K
Vinyl Chloride and High-Fat Diet as a Model of Environment and Obesity Interaction
09:15

Vinyl Chloride and High-Fat Diet as a Model of Environment and Obesity Interaction

Published on: January 12, 2020

6.4K

相关实验视频

Last Updated: Jun 26, 2025

Quantitative Detection of Trace Explosive Vapors by Programmed Temperature Desorption Gas Chromatography-Electron Capture Detector
07:57

Quantitative Detection of Trace Explosive Vapors by Programmed Temperature Desorption Gas Chromatography-Electron Capture Detector

Published on: July 25, 2014

20.0K
Construction of Models for Nondestructive Prediction of Ingredient Contents in Blueberries by Near-infrared Spectroscopy Based on HPLC Measurements
10:25

Construction of Models for Nondestructive Prediction of Ingredient Contents in Blueberries by Near-infrared Spectroscopy Based on HPLC Measurements

Published on: June 28, 2016

10.6K
Vinyl Chloride and High-Fat Diet as a Model of Environment and Obesity Interaction
09:15

Vinyl Chloride and High-Fat Diet as a Model of Environment and Obesity Interaction

Published on: January 12, 2020

6.4K

科学领域:

  • 环境化学环境化学
  • 计算化学的计算化学
  • 物理化学 物理化学

背景情况:

  • 对挥发性有机化合物 (VOC) 的标准蒸发度 (ΔvapHm°) 的准确预测对于环境,工业和监管应用至关重要.
  • 传统的实验方法耗时且昂贵.
  • 现有的机器学习 (ML) 模型在预测准确性和适用性方面存在局限性.

研究的目的:

  • 开发一个数据驱动,可解释的监督ML模型,用于预测VOCs的标准蒸发度 (ΔvapHm°).
  • 为实验性财产估计提供高吞吐量和成本效益的替代方案.
  • 提高ML模型在化学性质预测中的准确性和适用性.

主要方法:

  • 使用监督的ML回归方法,特别是随机森林算法.
  • 在2410个独特分子的实验数据库上训练模型,包括223个由化学组分类的VOC.
  • 通过对已知的VOC数据库和分子组保留测试的预测来验证模型.

主要成果:

  • 随机森林模型准确地预测了VOCs的ΔvapHm°,平均绝对误差为3.02 kJ mol-1,并取得了95%的测试成绩.
  • 化学特征重要性分析确定了VOC极化性,连接性指数和电拓状态作为关键预测因素.
  • 该模型证明了可复制性和可解释性.

结论:

  • 开发的可解释的ML模型提供了一种可靠和有效的方法来预测VOCs的标准蒸发度.
  • 该模型的可解释性为影响蒸发度的关键分子描述因素提供了洞察力.
  • 这种方法可以扩展到预测VOCs的其他热力学特性.