Towards a predictive model for polymer solubility using the noncovalent interaction index: polyethylene as a case study-Reference-Cited by-同舟云学术

Towards a predictive model for polymer solubility using the noncovalent interaction index: polyethylene as a case study

Published:2021 Issue:44 Volume:23 Page:25374-25387
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Denayer Mats¹,Vekeman Jelle¹^ORCID,Tielens Frederik¹^ORCID,De Proft Frank¹

Affiliation:

1. Eenheid Algemene Chemie (ALGC), Vrije Universiteit Brussel, Pleinlaan 2, 1050 Brussel, Belgium

Abstract

A novel solubility descriptor is presented based on the non-covalent interaction index, providing information on the solute’s inter- and intramolecular interactions, and its conformation. Polyethylene in (anti)solvent is used as a case-study.

Funder

Fonds Wetenschappelijk Onderzoek

Vrije Universiteit Brussel

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2021/CP/D1CP04346C

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1. Gateway of Landfilled Plastic Waste Towards Circular Economy in Europe

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