Chemical space analysis and property prediction for carbon capture solvent molecules-Reference-Cited by-同舟云学术

Chemical space analysis and property prediction for carbon capture solvent molecules

Published:2024 Issue:3 Volume:3 Page:528-543
ISSN:2635-098X
Container-title:Digital Discovery
language:en
Short-container-title:Digital Discovery

Author:

McDonagh James L.¹²,Zavitsanou Stamatia³^ORCID,Harrison Alexander¹,Zubarev Dimitry⁴,van Kessel Theordore⁵,Wunsch Benjamin H.⁵^ORCID,Cipcigan Flaviu¹^ORCID

Affiliation:

1. IBM Research Europe, Hartree Centre, SciTech Daresbury, Warrington, Cheshire WA4 4AD, UK

2. University of Edinburgh, School of Mathematics, Bayes Centre, 47 Potterrow, Edinburgh EH8 9BT, UK

3. University of Oxford, Physical and Theoretical Chemistry Laboratory, Oxford, UK

4. IBM Research, IBM Almaden Research Center, San Jose, CA 95120, USA

5. IBM Research, IBM T. J. Watson Research Center, Yorktown Heights, New York 10598, USA

Abstract

A chemical space analysis of carbon capture amines and a computational screening framework for carbon capture solvents.

Publisher

Royal Society of Chemistry (RSC)

Link

http://pubs.rsc.org/en/content/articlepdf/2024/DD/D3DD00073G

Reference97 articles.

1. Solvent-based post-combustion CO2 capture for power plants: A critical review and perspective on dynamic modelling, system identification, process control and flexible operation

2. J. G.Olivier , K.Schure and J.Peters , PBL Netherlands Environmental Assessment Agency , 2017 , vol. 5

3. Committed emissions from existing energy infrastructure jeopardize 1.5 °C climate target

4. Separating the debate on CO2 utilisation from carbon capture and storage

5. IEA , CCUS in Clean Energy Transitions , International energy association technical report , 2020