Diethanolamine

Separation of CO2 and TFE by using diethanolamine and diisopropylamine

The near-azeotrope mixture of TFE and CO2 is an important concern urging the scientific community to develop new ways for TFE/CO2 separations. In this work, for the first time, Diisopropylamine (DIPA) and Diethanolamine (DEA) are used as solvents for separ ...

Taylor & Francis Inc2024

CO2 Capture and Release in Amine Solutions: To What Extent Can Molecular Simulations Help Understand the Trends?

Wanda Andreoni, Fabio Pietrucci, Changru Ma

Absorption in amine solutions is a well-established advanced technology for CO2 capture. However, the fundamental aspects of the chemical reactions occurring in solution still appear to be unclear. Our previous investigation of aqueous monoethanolamine (ME ...

2023

Nickel-Catalyzed Reductive Transamidation of Secondary Amides with Nitroarenes

Xile Hu, Chi Wai Cheung, Marten Leendert Ploeger

Transmidation is an attractive method for amide synthesis. However, transamidation of secondary amides is challenging. Here, we describe a reductive transamidation method that employs readily available nitro(hetero)arenes as the nitrogen sources, zinc or m ...

American Chemical Society2017

Reaction dynamics of in aqueous amines from ab initio molecular dynamics: 2-amino-2-methyl-1,3-propanediol (AMPD) compared to monoethanolamine (MEA)

Wanda Andreoni, Fabio Pietrucci, Changru Ma

We present Car-Parrinello molecular dynamics simulations-combined with metadynamics-of the reactions accompanying the capture of in an aqueous amine solution. The selected amine is 2-amino-2-methyl-1,3-propanediol, which has been investigated experimentall ...

Springer2016

CO2 capture in amine solutions: modelling and simulations with non-empirical methods

Fabio Pietrucci, Wanda Andreoni

Absorption in aqueous amine solutions is the most advanced technology for the capture of CO2, although suffering from drawbacks that do not allow exploitation on large scale. The search for optimum solvents has been pursued with empirical methods and has a ...

Iop Publishing Ltd2016

Capturing CO2 in Monoethanolamine (MEA) Aqueous Solutions: Fingerprints of Carbamate Formation Assessed with First-Principles Simulations

Wanda Andreoni, Fabio Pietrucci, Changru Ma

Chemical absorption in amine aqueous solutions is a widespread technology for postcombustion carbon capture, and a large effort is ongoing to improve their performance. Characterization of the "reactant" and "product" solutions at the microscopic level is ...

Amer Chemical Soc2014

Amides in One Pot from Carboxylic Acids and Amines via Sulfinylamides

Pierre Vogel, Jianfei Bai

An efficient method has been developed for the direct amidification of carboxylic acids via sulfinylamides preformed in situ by the reaction of pure amines with prop-2-ene-1-sulfinyl chloride. The method can be applied to aliphatic acids, including pivalic ...

Amer Chemical Soc2014

The Fate of a Zwitterion in Water from ab Initio Molecular Dynamics: Monoethanolamine (MEA)-CO2

Wanda Andreoni, Fabio Pietrucci

Understanding the fundamental reactions accompanying the capture of carbon dioxide in amine solutions is critical for the design of high-performance solvents and requires an accurate modeling of the solute-solvent interaction. As a first step toward this g ...

Amer Chemical Soc2013

Diethanolamine

Separation of CO2 and TFE by using diethanolamine and diisopropylamine

CO2 Capture and Release in Amine Solutions: To What Extent Can Molecular Simulations Help Understand the Trends?

Nickel-Catalyzed Reductive Transamidation of Secondary Amides with Nitroarenes

Reaction dynamics of in aqueous amines from ab initio molecular dynamics: 2-amino-2-methyl-1,3-propanediol (AMPD) compared to monoethanolamine (MEA)

CO2 capture in amine solutions: modelling and simulations with non-empirical methods

Capturing CO2 in Monoethanolamine (MEA) Aqueous Solutions: Fingerprints of Carbamate Formation Assessed with First-Principles Simulations

Amides in One Pot from Carboxylic Acids and Amines via Sulfinylamides

The Fate of a Zwitterion in Water from ab Initio Molecular Dynamics: Monoethanolamine (MEA)-CO2

Towards the development of a hydrogen battery

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Separation of CO2 and TFE by using diethanolamine and diisopropylamine

CO2 Capture and Release in Amine Solutions: To What Extent Can Molecular Simulations Help Understand the Trends?

Nickel-Catalyzed Reductive Transamidation of Secondary Amides with Nitroarenes

Reaction dynamics of in aqueous amines from ab initio molecular dynamics: 2-amino-2-methyl-1,3-propanediol (AMPD) compared to monoethanolamine (MEA)

CO2 capture in amine solutions: modelling and simulations with non-empirical methods

Capturing CO2 in Monoethanolamine (MEA) Aqueous Solutions: Fingerprints of Carbamate Formation Assessed with First-Principles Simulations

Amides in One Pot from Carboxylic Acids and Amines via Sulfinylamides

The Fate of a Zwitterion in Water from ab Initio Molecular Dynamics: Monoethanolamine (MEA)-CO2

Towards the development of a hydrogen battery