Journal
JOURNAL OF PHYSICAL CHEMISTRY A
Volume 124, Issue 19, Pages 3935-3942Publisher
AMER CHEMICAL SOC
DOI: 10.1021/acs.jpca.0c01363
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Funding
- Catalysis for Polymer Upcycling - U.S. Department of Energy (DOE) Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences, and Biosciences [DE-AC-02-07CH11358]
- U.S. National Science Foundation CBET Award [17-06911]
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Of all plastics, the most abundantly produced is polyethylene, most of which is destined for landfills, shipping ports, and natural environments. The limited degradability and recyclability of this synthetic polymer motivates the development of chemical recycling methods. One possible approach consists of selective depolymerization to propylene with tandem olefin metathesis and double bond isomerization catalysts. In this paper, we transform thousands of coupled rate equations, pseudosteady-state approximations, and local density approximations into one simple and analytically solvable Fokker-Planck type equation. The Fokker-Planck equation gives concise expressions for the rate of propylene production and polymer molecular weight evolution as functions of catalyst concentrations, rate constants, and ethylene concentrations.
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