Accurate prediction of carbon dioxide capture by deep eutectic solvents using quantum chemistry and a neural network
Journal article published in 2023 by
Mood Mohan 
,
Omar Demerdash,
Blake A. Simmons ,
Jeremy C. Smith,
Michelle K. Kidder ,
Seema Singh
,
Omar Demerdash,
Blake A. Simmons ,
Jeremy C. Smith,
Michelle K. Kidder ,
Seema Singh
This paper is made freely available by the publisher.
Full text: Download
Published version:
archiving forbidden
Data provided by 
Abstract
We report the development of machine learning model for the calculation of carbon dioxide solubilities in deep solvent solvents. This model helps to predict and accelerate the development of carbon capture solvents with ideal experimental conditions.