Reaction mechanisms of aqueous monoethanolamine with carbon dioxide: a combined quantum chemical and molecular dynamics study

Molecular Dynamics Simulations of Proposed Intermediates in the CO2 + Aqueous Amine Reaction

(2014) Kazi Z. Sumon et al.   Journal of Physical Chemistry Letters

Characterizing the Transport Properties of Multiamine Solutions for CO2 Capture by Molecular Dynamics Simulation

(2013) Y. S. Yu et al.   JOURNAL OF CHEMICAL AND ENGINEERING DATA

Ab Initio Study of CO2 Capture Mechanisms in Aqueous Monoethanolamine: Reaction Pathways for the Direct Interconversion of Carbamate and Bicarbonate

(2013) Yoichi Matsuzaki et al.   JOURNAL OF PHYSICAL CHEMISTRY A

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

(2012) Ciro A. Guido et al.   Journal of Chemical Theory and Computation

Proton Transfer Step in the Carbon Dioxide Capture by Monoethanol Amine: A Theoretical Study at the Molecular Level

(2012) Kenji Iida et al.   JOURNAL OF PHYSICAL CHEMISTRY B

Selection of Blended Solvents for CO2 Absorption from Coal-Fired Flue Gas. Part 1: Monoethanolamine (MEA)-Based Solvents

(2011) Dechen Zhu et al.   ENERGY & FUELS

CO2Absorption Rate into Concentrated Aqueous Monoethanolamine and Piperazine

(2011) Ross E. Dugas et al.   JOURNAL OF CHEMICAL AND ENGINEERING DATA

Enthalpy of Solution of Carbon Dioxide in Aqueous Solutions of Monoethanolamine at Temperatures of 322.5 K and 372.9 K and Pressures up to 5 MPa

(2011) Hugues Arcis et al.   JOURNAL OF CHEMICAL AND ENGINEERING DATA

Understanding CO2 Capture Mechanisms in Aqueous Monoethanolamine via First Principles Simulations

(2011) Bo Han et al.   Journal of Physical Chemistry Letters

Post-combustion CO2 capture with chemical absorption: A state-of-the-art review

(2010) M. Wang et al.   CHEMICAL ENGINEERING RESEARCH & DESIGN

Nucleophilicity and Accessibility Calculations of Alkanolamines: Applications to Carbon Dioxide Absorption Reactions

(2010) Young H. Jhon et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Reaction Mechanism of Monoethanolamine with CO2in Aqueous Solution from Molecular Modeling

(2010) Hong-Bin Xie et al.   JOURNAL OF PHYSICAL CHEMISTRY A

What to Do with CO2

(2010) Edward J. Maginn   Journal of Physical Chemistry Letters

DFT Calculations on the Role of Base in the Reaction between CO2and Monoethanolamine

(2009) Jae-Goo Shim et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

NMR Studies of Amine Species in MEA−CO2−H2O System: Modification of the Model of Vapor−Liquid Equilibrium (VLE)

(2009) Gao-jun Fan et al.   INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH

Entropy contributions in pKa computation: Application to alkanolamines and piperazines

(2009) Farhad Khalili et al.   JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM

Amine Scrubbing for CO2 Capture

(2009) G. T. Rochelle   SCIENCE