<i>In silico</i> COSMO-RS predictive screening of ionic liquids for the dissolution of plastic-Reference-Cited by-同舟云学术

In silico COSMO-RS predictive screening of ionic liquids for the dissolution of plastic

Published:2022 Issue:10 Volume:24 Page:4140-4152
ISSN:1463-9262
Container-title:Green Chemistry
language:en
Short-container-title:Green Chem.

Author:

Mohan Mood¹²^ORCID,Keasling Jay D.¹³⁴⁵⁶,Simmons Blake A.¹³^ORCID,Singh Seema¹²^ORCID

Affiliation:

1. Deconstruction Division, Joint BioEnergy Institute, 5885 Hollis Street, Emeryville, California 94608, USA

2. Department of Biomass Science and Conversion Technology, Sandia National Laboratories, 7011 East Avenue, Livermore, California 94551, USA

3. Biological Systems and Engineering Division, Lawrence Berkeley National Laboratory, 1 Cyclotron Road, Berkeley, California 94720, USA

4. QB3 Institute, University of California, Berkeley, California, 94720, USA

5. Department of Bioengineering, University of California, Berkeley, California, 94720, USA

6. Department of Chemical and Biomolecular Engineering, University of California, Berkeley, California, 94720, USA

Abstract

Herein we report the screening of 9405 ionic liquids for plastic dissolution using the continuum solvation model (COMSO-RS) and the results are validated with experiments.

Funder

U.S. Department of Energy

Publisher

Royal Society of Chemistry (RSC)

Subject

Pollution,Environmental Chemistry

Link

http://pubs.rsc.org/en/content/articlepdf/2022/GC/D1GC03464B

Reference81 articles.

1. E. B.Soriaga , The crystal and molecular structures of three transition metal complexes , University of Hawai'i at Manoa , 1978

2. Plastics - the Facts 2016, PlasticsEurope, https://www.plasticseurope.org/application/files/4315/1310/4805/plastic-the-fact-2016.pdf

3. World Economic Forum , The New Plastics Economy Rethinking the future of plastics, https://www.weforum.org/press/2016/01/more-plastic-than-fish-in-the-ocean-by-2050-report-offers-blueprint-for-change

4. Marine plastic pollution as a planetary boundary threat – The drifting piece in the sustainability puzzle

5. The COVID-19 pandemic is unleashing a tidal wave of plastic waste 2020, Los Angeles Times, https://www.latimes.com/world-nation/story/2020-06-13/coronavirus-pandemic-plastic-waste-recycling

Cited by 30 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Polycarbonate ethanolysis with imidazolium-based ionic liquids: Recovery of high-purity BPA and value-added by-product;Materials Today Sustainability;2024-03

2. Highly efficient catalyzed by imidazolium-based dual-sulfonic acid functionalized ionic liquids for liquid phase Beckmann rearrangement: experiments and COSMO-RS calculations;Green Chemical Engineering;2024-03

3. Towards a better understanding of the cosolvent effect on the low-temperature glycolysis of Polyethylene Terephthalate (PET);Chemical Engineering Journal;2024-02

4. Natural deep eutectic solvents for the extraction of lentinan from shiitake mushroom: COSMO-RS screening and ANN-GA optimizing conditions;Food Chemistry;2024-01

5. Inductive Effect in Amino Functionalized Ionic Liquids Modified Ts-1 Nanosheets for Efficiently Sunlight-Driven Co2 Reduction;2024