连续流合成使反应发现成为可能
Antonella Ilenia Alfano1, Jorge García-Lacuna1, Oliver M Griffiths2
1School of Chemistry, University College Dublin, Science Centre South Belfield Dublin 4 Ireland marcus.baumann@ucd.ie.
Chemical science
|March 29, 2024
概括
连续流化学使新的反应发现和分子组装成为可能. 它显著影响光化学,电化学和温度敏感反应,使用人工智能和机器学习进行高级控制.
科学领域:
- 化学 化学 化学
- 化学工程是化学工程的重要组成部分.
- 材料科学 材料科学 材料科学
背景情况:
- 传统的批量化学在探索新反应途径方面面临局限性.
- 某些化学过程,如光化学和电化学反应,使用传统方法很难控制和扩展.
研究的目的:
- 定义连续流化学在发现新反应中的作用.
- 突出分子组装的机会,超出目前的能力.
- 探索连续流方法对光化学,电化学和温度敏感过程的影响.
主要方法:
- 使用连续流化学平台.
- 实施机器辅助处理以优化反应.
- 利用人工智能 (AI) 和机器学习 (ML) 来进行数据采集,反和控制.
主要成果:
- 连续流化学为反应发现开辟了新的途径.
- 在光化学,电化学和温度敏感反应中观察到的化学反应模式的显著影响.
- 流式化学平台非常适合与AI/ML技术集成.
结论:
- 连续流化学为推进分子组装提供了强大的工具.
- 人工智能和机器学习与流体化学的整合有望彻底改变化学反应控制和发现.
相关概念视频
Synthesis and Decomposition Reactions
32.7K
Synthesis and decomposition are two types of redox reactions. Synthesis means to make something, whereas decomposition means to break something. The reactions are accompanied by chemical and energy changes.
32.7K
Cycloaddition Reactions: Overview
2.6K
Cycloadditions are one of the most valuable and effective synthesis routes to form cyclic compounds. These are concerted pericyclic reactions between two unsaturated compounds resulting in a cyclic product with two new σ bonds formed at the expense of π bonds. The [4 + 2] cycloaddition, known as the Diels–Alder reaction, is the most common. The other example is a [2 + 2] cycloaddition.
2.6K
Multi-Step Reactions
7.3K
Chemical reactions often occur in a stepwise fashion involving two or more distinct reactions taking place in a sequence. A balanced equation indicates the reacting species and the product species, but it reveals no details about how the reaction occurs at the molecular level. The reaction mechanism (or reaction path) provides details regarding the precise, step-by-step process by which a reaction occurs. Each of the steps in a reaction mechanism is called an elementary reaction. These...
7.3K
Limitations of Friedel–Crafts Reactions
5.3K
Several restrictions limit the use of Friedel–Crafts reactions. First, the halogen in the alkyl halide must be attached to an sp3-hybridized carbon for the Friedel–Crafts reactions to occur. Vinyl or aryl halides do not react since the carbocations formed are unstable under the reaction conditions. Second, Friedel–Crafts alkylation is susceptible to carbocation rearrangement, and the major products obtained have a rearranged carbon skeleton. In contrast, the acylium ion is...
5.3K
Chemical Reactions
9.9K
A balanced chemical equation provides the information of chemical formulas of the reactants and products involved in the chemical change. A reaction’s stoichiometry helps predict how much of the reactant is needed to produce the desired amount of product, or in some cases, how much product will be formed from a specific amount of the reactant.
The relative amounts of reactants and products represented in a balanced chemical equation are often referred to as stoichiometric amounts.
The relative amounts of reactants and products represented in a balanced chemical equation are often referred to as stoichiometric amounts.
9.9K
Predicting Reaction Outcomes
8.3K
Kinetics describes the rate and path by which a reaction occurs. In contrast, thermodynamics deals with state functions and describes the properties, behavior, and components of a system. It is not concerned with the path taken by the process and cannot address the rate at which a reaction occurs. Although it does provide information about what can happen during a reaction process, it does not describe the detailed steps of what appears on an atomic or a molecular level. On the other hand,...
8.3K


