Direct Detection of Products from the Pyrolysis of 2-Phenethyl Phenyl

Jan 10, 2011 - This method optimizes the geometry using density function theory (B3LYP) and then .... As mentioned above the estimated enthalpy for re...
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J. Phys. Chem. A 2011, 115, 428–438

Direct Detection of Products from the Pyrolysis of 2-Phenethyl Phenyl Ether Mark W. Jarvis,*,† John W. Daily,‡ Hans-Heinrich Carstensen,§ Anthony M. Dean,§ Shantanu Sharma,| David C. Dayton,⊥ David J. Robichaud,† and Mark R. Nimlos† National Renewable Energy Laboratory, 1617 Cole BlVd., Golden, Colorado 80401, United States, UniVersity of Colorado at Boulder, Department of Mechanical Engineering, Boulder, Colorado 80309, United States, Colorado School of Mines, Department of Chemical Engineering, Golden, Colorado 80401, United States, Materials and Process Simulation Center, California Institute of Technology, Pasadena, California 91125, United States, and Research Triangle Institute, Research Triangle Park, North Carolina 27709, United States ReceiVed: August 12, 2010; ReVised Manuscript ReceiVed: October 29, 2010

The pyrolysis of 2-phenethyl phenyl ether (PPE, C6H5C2H4OC6H5) in a hyperthermal nozzle (300-1350 °C) was studied to determine the importance of concerted and homolytic unimolecular decomposition pathways. Short residence times (