4.7 Article

Molecular Dynamics and Nuclear Magnetic Resonance Studies of Supercritical CO2 Sorption in Poly(Methyl Methacrylate)

Journal

POLYMERS
Volume 14, Issue 23, Pages -

Publisher

MDPI
DOI: 10.3390/polym14235332

Keywords

supercritical carbon dioxide; poly(methyl methacrylate); nuclear magnetic resonance; molecular dynamics

Funding

  1. Russian Science Foundation
  2. [22-13-00257]

Ask authors/readers for more resources

The study of supercritical carbon dioxide sorption processes is important in the field of green chemistry and for the selection of conditions for new polymer material formation. This paper demonstrates the possibility of studying powder sorption processes using various methods based on the example of polymethylmethacrylate and supercritical carbon dioxide.
The study of supercritical carbon dioxide sorption processes is an important and urgent task in the field of green chemistry and for the selection of conditions for new polymer material formation. However, at the moment, the research of these processes is very limited, and it is necessary to select the methodology for each polymer material separately. In this paper, the principal possibility to study the powder sorption processes using C-13 nuclear magnetic resonance spectroscopy, relaxation-relaxation correlation spectroscopy and molecular dynamic modeling methods will be demonstrated based on the example of polymethylmethacrylate and supercritical carbon dioxide. It was found that in the first nanoseconds and seconds during the sorption process, most of the carbon dioxide, about 75%, is sorbed into polymethylmethacrylate, while on the clock scale the remaining 25% is sorbed. The methodology presented in this paper makes it possible to select optimal conditions for technological processes associated with the production of new polymer materials based on supercritical fluids.

Authors

I am an author on this paper
Click your name to claim this paper and add it to your profile.

Reviews

Primary Rating

4.7
Not enough ratings

Secondary Ratings

Novelty
-
Significance
-
Scientific rigor
-
Rate this paper

Recommended

No Data Available
No Data Available