Combining experiment and theory to elucidate the role of supercritical water in sulfide decomposition

Physical Chemistry Chemical Physics - Tập 16 Số 20 - Trang 9220-9228
Yuko Kida1,2,3, Caleb A. Class1,2,4, Anthony Joseph Concepcion1,2,5, Michaël T. Timko2,6,7, William H. Green1,2,5
1Cambridge, USA
2Department of Chemical Engineering
3Massachusetts Institute of Technology, Department of Chemical Engineering, 77 Massachusetts Ave 66-350, Cambridge, MA, USA.
4Massachusetts Institute of Technology, Department of Chemical Engineering, 77 Massachusetts Ave 66-350,Cambridge,USA
5Massachusetts Institute of Technology,
6Worcester Polytechnic Institute
7Worcester, USA

Tóm tắt

Supercritical water is observed to react with alkyl sulfides, forming H2S, CO, and alkanes. Quantum chemistry calculations show this occurs via a multistep mechanism involving both free radical and pericyclic reactions, with water acting as both a reagent and a catalyst.

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