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Computational methods in solution-based plastics purification

delete2026-07-25
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PRE
AI
A
Ali Altamimi
R
Reid C. Van Lehn
DOI：10.1016/j.coche.2026.101285delete
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Abstract

Abstract

En 中文
• Solubility models remain limited for polydisperse polymers and solvent mixtures. • Solvent-mediated removal of contaminants like phthalates can be computationally guided. • COSMO-RS predicts temperature-dependent polymer dissolution for plastics recycling. • Molecular simulations resolve phenomena like solvent diffusion and de-inking. • Agentic AI may integrate computational tools for feedstock-adaptive recycling.

Journal

Current Opinion in Chemical Engineering cover
Current Opinion in Chemical Engineering
IF:
6.8
Papers:
1.2K
Citations:
5.0K

Organization

U
university of wisconsin-madison
Scholars:
3.0K
Papers: 1.3K
Citations: 2