Pressure-induced Polymerization in Substituted Acetylenes

ORAL

Abstract

A fundamental understanding of shock-induced chemical reactions in organics is still lacking and there are limited studies devoted to determining reaction mechanisms, evolution of bonding, and effect of functional group substitutions. The fast timescale of reactions occurring during shock compression create significant experimental challenges (diagnostics) to fully quantify the mechanisms involved. Static compression provides a complementary route to investigate the equilibrium phase space and metastable intermediates during high pressure chemistry, although at a much slower timescale. In this study, we present our results from our ongoing high pressure \textit{in situ} synchrotron x-ray diffraction and vibrational spectroscopy experiments on substituted acetylenes: tert-butyl acetylene [TBA: (CH$_{3})_{3}$-C$\equiv $CH] and ethynyl trimethylsilane [ETMS: (CH$_{3})_{3}$-Si$\equiv $CH]. We observed that the onset pressure of chemical reactions (at room temperature) in these compounds is significantly higher in static compression (TBA: 11 GPa and ETMS: 26 GPa) when compared to shock input pressures (TBA: 6.1 GPa and ETMS: 6.6 GPa). The products were polymeric in nature, recovered to ambient conditions with little degradation and fully characterized using spectroscopy, calorimetry, and other techniques to identify reaction mechanisms.

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Authors

  • Raja Chellappa

    Los Alamos National Laboratory

  • Dana Dattelbaum

    Los Alamos National Laboratory

  • Yasuyuki Horie

    AFRL/RXBC, Georgia Institute of Technology, AFRL/RXLM and UES, Inc., CEA Valduc, QinetiQ Ltd, Fort Halstead, Los Alamos National Laboratory, Woods Hole Oceanographic Institution, Naval Surface Warfare Center, Indian Head Division, University of Louisiana at Lafayette, BMB Discount Guns, Ammunition, and Supplies, Alabama A\&M University, Lawrence Livermore National Laboratory, Joint Institute for High Temperatures of Russian Academy of Sciences, Sandia National Laboratories, WERC, Osaka University, Osaka University, JST-CREST, Los Alamos National Lab, University of Cambridge, UK, Lawrence Livermore National Lab, University of Cambridge, U.S. Army ARDEC, Ktech Corp. Albuquerque, NM 87123, Sandia National Laboratories, Albuquerque, NM 87185, Tokyo Institute of Technology, Institute for Problem in Mechanical Engineering, Johns Hopkins University, RFNC - VNIIEF, Sarov, Russia, ITEP, Moscow, Russia, IPCP RAS, Chernogolovka, Russia, CEA, Centre DAM-Ile-de-France, Bruyeres-le-Chatel 91297, France, Russian Federal Nuclear Centre - Institute of Technical Physics, 456770 Snezhinsk, Russia, U. S. Army Research Laboratory, University of South Florida, Naval Research Laboratory, JIHT RAS, Moscow, Russia, Fracture and Shock Physics, SMF Group, Cavendish Laboratory, JJ Thomson Ave., Cambridge, CB3 0HE, United Kingdom, AWE Aldermaston, ASML Lithography Co., NSWC Indian Head Division, Washington State University, Armament Research Development \& Eng, Lawrence Livermore Nationa Laboratory, Lockheed Martin Space Systems Company, White Sands Test Facility, NASA-Johnson Space Center, NASA-Glenn Research Center, SLAC, XFEL, Germany, Imperial College, UK, LULI, France, LLNL, IOP, Prague, U. of Jena, Germany, DESY, Germany, LCLS, LBNL, LBLN, U. of Oxford, UK, University of New Mexico, The Natural History Museum, UK, Open University, UK, University of Oxford, UK, ICB, UN Cuyo, Argentina, University of Rochester, General Atomics, Sandia, Laboratory for Laser Energetics, U. of Rochester, Sandia National Lab, The University of Texas - Brownsville, The University of New Mexico, Wash. State Univ., Sandia National Laboratories, Albuquerque, NM 87185., Ktech Corp. Albuquerque, NM 87123., California Institute of Technology, CELIA, CEA-CESTA, CNRS, Marquette University, Department of Applied Mathematics and Statistics, University at Stony Brook, Tohoku University, Japan, Chubu University, Japan, School of Materials Science and Engineering, Georgia Institute of Technology, Department of Earth \& Planetary Systems Science, Hiroshima University, Laboratory of Shock Wave and Detonation Physics, Institute of Fluid Physics CAEP, Laboratory of Shock wave and Detonation Physics, Institute of Fluid Physics CAEP, Division of Geological and Planetary Sciences, California Institute of Technology, Pasadena, CA 91125 U.S.A., Joint Institute for High Temperatures of RAS, Ben-Gurion University, Soreq Nuclear Research Center, Air Force Research Laboratory, Institute of Fluid Physics, China Academy of Engineering Physics, Institute of Fluid Physics, CAEP, National Institute for Materials Science, Tohoku University, Hiroshima University, Fritz Haber Institute for Molecular Dynamics, Hebrew University, Jerusalem 91904, Israel, Bio-medical Engineering, Ben Gurion University, Beer-Sheva 84105, Israel, Materials and Process Simulation Center, 139-74, California Institute of Technology, Pasadena, CA 91125, USA, Department of Mechanical and Nuclear Engineering, Pennsylvania State University, University Park, PA 16802, USA, Institute of Strength Physics and Materials Science of the Siberian Branch of the Russian Academy of Sciences, Tomsk, Russia, Tomsk state university of architecture and building, Tomsk, 2 Solyanaya sq., Tomsk, 634003, Russia, Naval Surface Warfare Center, Dahlgren Division, Army Research Laboratory, Aberdeen Proving Ground, Department of Mechanical Engineering, Johns Hopkins Univeristy, Department of Mechanical Engineering, Johns Hopkins Univeristy and Army Research Laboratory, Aberdeen Proving Ground, Research Support Instruments, Ktech Corporation, Prism Computational Sciences, Corvid Technologies, The University of Tokyo, National Institute of Advanced Industrial Science and Technology (AIST), State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Beijing, China, UCSD, USA, Russian Federal Nuclear Center - Zababakhin Institute of Technical Physics, Snezhinsk, Russia, The Wakasa Wan Energy Research Center, SPring-8, National Defense Academy of Japan, Institute of Applied Physics and Computation Mathematics, Key Laboratory for Computational Physical Sciences (MOE), Fudan University, Shanghai, China, Institute for Theoretical and Experimental Physics, Moscow Institute of Physics and Technology, Cornell University, St. Petersburg State University, failure-PREVENTION-associates(fPa)/THERMALLOY-TECHNOLOGY(TAT)/TATL, Ffailure-PREVENTION-associates(fPa)/THERMALLOY-TECHNOLOGY(TAT)/TATL, Institute for Problems in Mechanical Engineering RAS, National Key Laboratory of Shock Wave and Detonation Physics, Institute of Fluid Physics, School of science, Wuhan University Technology, Laboratory for Shock Wave and Detonation Physics Research, Institute of Fluid Physics, CAEP, Mianyang, 621900, Institute of High Temperature and High Pressure Physics, Wuhan University of Technology, Wuhan, 43007, JIHT RAS, MUCTR, Russia, IPCP RAS, School of Science, Wuhan University of Technology, Wuhan, Hubei, Institute of Applied Physics and Computational Mathematics, 76\# Wensu Road, Jiading District, Shanghai, PR China, 201800, Kobe U., Tokyo Inst. Tech., Chiba Instit. Tec., Osaka U., Hiroshima U., Nagoya University, Harbin Institute of Technology, Purdue University, UCSD, Institute of Fluid Physics, Chinese Academy of Engineering Physics, Northwest Institute of Nuclear Technology in China, Imperial College London, US Air Force, Laboratory for Shock Wave and Detonation Physics, Institute of Fluid Physics, P.R.China, 621900, AWE, CEA, DAM, Le Ripault, CEA, DAM, Le ripault, KTech Corporation, Rafael Advanced Defense Systems, Oxford University, PIMM, CEA DAM/DIF, Lawrence Livermore National Lab and Dalhousie University, IRS, Universitaet Stuttgart, LASP, University of Colorado, Boulder, Universitaet der Bundeswehr, Muenchen, Germany, MPI for Nuclear Physics, Heidelberg, Germany, Stanford University, PERC/Chitech, ILE, Osaka Univ., Univ. of Tokyo, Osaka Univ., Institute of Laser Engineering, Osaka University, Soreq NRC, Ben Gurion University, University of South Florida, Department of Physics, Tampa, Fl 33620, USA, Naval Research Laboratory, Washington, DC 20375, USA, D\'epartement Th\'eorie et Simulation Num\'erique, CINaM, CNRS-UPR 3118, Campus de Luminy, 13288 Marseille, France, D\'epartment de Physique Th\'eorique et Appliqu\'ee, CEA-DAM Ile de France, Bruy\`eres-le-Ch\^atel, 91297 Arpajon Cedex, France, Kyushu University, The Johns Hopkins University, Army Research Laboratory, Queens University Belfast, University of Oxford, LULI, Ecole Polytechnique, RIKEN SPring-8, Kumamoto University, Institut Pprime - UPR CNRS 3346, CEA-DAM DIF, PIMM - Arts et Metiers, CEA, DAM, Le Ripault, F-37260, Monts, France, CEA, DAM, DIF, F91297, Arpajon, France, USAF- Wright Labs

  • Yasuyuki Horie

    AFRL/RXBC, Georgia Institute of Technology, AFRL/RXLM and UES, Inc., CEA Valduc, QinetiQ Ltd, Fort Halstead, Los Alamos National Laboratory, Woods Hole Oceanographic Institution, Naval Surface Warfare Center, Indian Head Division, University of Louisiana at Lafayette, BMB Discount Guns, Ammunition, and Supplies, Alabama A\&M University, Lawrence Livermore National Laboratory, Joint Institute for High Temperatures of Russian Academy of Sciences, Sandia National Laboratories, WERC, Osaka University, Osaka University, JST-CREST, Los Alamos National Lab, University of Cambridge, UK, Lawrence Livermore National Lab, University of Cambridge, U.S. Army ARDEC, Ktech Corp. Albuquerque, NM 87123, Sandia National Laboratories, Albuquerque, NM 87185, Tokyo Institute of Technology, Institute for Problem in Mechanical Engineering, Johns Hopkins University, RFNC - VNIIEF, Sarov, Russia, ITEP, Moscow, Russia, IPCP RAS, Chernogolovka, Russia, CEA, Centre DAM-Ile-de-France, Bruyeres-le-Chatel 91297, France, Russian Federal Nuclear Centre - Institute of Technical Physics, 456770 Snezhinsk, Russia, U. S. Army Research Laboratory, University of South Florida, Naval Research Laboratory, JIHT RAS, Moscow, Russia, Fracture and Shock Physics, SMF Group, Cavendish Laboratory, JJ Thomson Ave., Cambridge, CB3 0HE, United Kingdom, AWE Aldermaston, ASML Lithography Co., NSWC Indian Head Division, Washington State University, Armament Research Development \& Eng, Lawrence Livermore Nationa Laboratory, Lockheed Martin Space Systems Company, White Sands Test Facility, NASA-Johnson Space Center, NASA-Glenn Research Center, SLAC, XFEL, Germany, Imperial College, UK, LULI, France, LLNL, IOP, Prague, U. of Jena, Germany, DESY, Germany, LCLS, LBNL, LBLN, U. of Oxford, UK, University of New Mexico, The Natural History Museum, UK, Open University, UK, University of Oxford, UK, ICB, UN Cuyo, Argentina, University of Rochester, General Atomics, Sandia, Laboratory for Laser Energetics, U. of Rochester, Sandia National Lab, The University of Texas - Brownsville, The University of New Mexico, Wash. State Univ., Sandia National Laboratories, Albuquerque, NM 87185., Ktech Corp. Albuquerque, NM 87123., California Institute of Technology, CELIA, CEA-CESTA, CNRS, Marquette University, Department of Applied Mathematics and Statistics, University at Stony Brook, Tohoku University, Japan, Chubu University, Japan, School of Materials Science and Engineering, Georgia Institute of Technology, Department of Earth \& Planetary Systems Science, Hiroshima University, Laboratory of Shock Wave and Detonation Physics, Institute of Fluid Physics CAEP, Laboratory of Shock wave and Detonation Physics, Institute of Fluid Physics CAEP, Division of Geological and Planetary Sciences, California Institute of Technology, Pasadena, CA 91125 U.S.A., Joint Institute for High Temperatures of RAS, Ben-Gurion University, Soreq Nuclear Research Center, Air Force Research Laboratory, Institute of Fluid Physics, China Academy of Engineering Physics, Institute of Fluid Physics, CAEP, National Institute for Materials Science, Tohoku University, Hiroshima University, Fritz Haber Institute for Molecular Dynamics, Hebrew University, Jerusalem 91904, Israel, Bio-medical Engineering, Ben Gurion University, Beer-Sheva 84105, Israel, Materials and Process Simulation Center, 139-74, California Institute of Technology, Pasadena, CA 91125, USA, Department of Mechanical and Nuclear Engineering, Pennsylvania State University, University Park, PA 16802, USA, Institute of Strength Physics and Materials Science of the Siberian Branch of the Russian Academy of Sciences, Tomsk, Russia, Tomsk state university of architecture and building, Tomsk, 2 Solyanaya sq., Tomsk, 634003, Russia, Naval Surface Warfare Center, Dahlgren Division, Army Research Laboratory, Aberdeen Proving Ground, Department of Mechanical Engineering, Johns Hopkins Univeristy, Department of Mechanical Engineering, Johns Hopkins Univeristy and Army Research Laboratory, Aberdeen Proving Ground, Research Support Instruments, Ktech Corporation, Prism Computational Sciences, Corvid Technologies, The University of Tokyo, National Institute of Advanced Industrial Science and Technology (AIST), State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology, State Key Laboratory of Chemical Resource Engineering, Beijing University of Chemical Technology, Beijing, China, UCSD, USA, Russian Federal Nuclear Center - Zababakhin Institute of Technical Physics, Snezhinsk, Russia, The Wakasa Wan Energy Research Center, SPring-8, National Defense Academy of Japan, Institute of Applied Physics and Computation Mathematics, Key Laboratory for Computational Physical Sciences (MOE), Fudan University, Shanghai, China, Institute for Theoretical and Experimental Physics, Moscow Institute of Physics and Technology, Cornell University, St. Petersburg State University, failure-PREVENTION-associates(fPa)/THERMALLOY-TECHNOLOGY(TAT)/TATL, Ffailure-PREVENTION-associates(fPa)/THERMALLOY-TECHNOLOGY(TAT)/TATL, Institute for Problems in Mechanical Engineering RAS, National Key Laboratory of Shock Wave and Detonation Physics, Institute of Fluid Physics, School of science, Wuhan University Technology, Laboratory for Shock Wave and Detonation Physics Research, Institute of Fluid Physics, CAEP, Mianyang, 621900, Institute of High Temperature and High Pressure Physics, Wuhan University of Technology, Wuhan, 43007, JIHT RAS, MUCTR, Russia, IPCP RAS, School of Science, Wuhan University of Technology, Wuhan, Hubei, Institute of Applied Physics and Computational Mathematics, 76\# Wensu Road, Jiading District, Shanghai, PR China, 201800, Kobe U., Tokyo Inst. Tech., Chiba Instit. Tec., Osaka U., Hiroshima U., Nagoya University, Harbin Institute of Technology, Purdue University, UCSD, Institute of Fluid Physics, Chinese Academy of Engineering Physics, Northwest Institute of Nuclear Technology in China, Imperial College London, US Air Force, Laboratory for Shock Wave and Detonation Physics, Institute of Fluid Physics, P.R.China, 621900, AWE, CEA, DAM, Le Ripault, CEA, DAM, Le ripault, KTech Corporation, Rafael Advanced Defense Systems, Oxford University, PIMM, CEA DAM/DIF, Lawrence Livermore National Lab and Dalhousie University, IRS, Universitaet Stuttgart, LASP, University of Colorado, Boulder, Universitaet der Bundeswehr, Muenchen, Germany, MPI for Nuclear Physics, Heidelberg, Germany, Stanford University, PERC/Chitech, ILE, Osaka Univ., Univ. of Tokyo, Osaka Univ., Institute of Laser Engineering, Osaka University, Soreq NRC, Ben Gurion University, University of South Florida, Department of Physics, Tampa, Fl 33620, USA, Naval Research Laboratory, Washington, DC 20375, USA, D\'epartement Th\'eorie et Simulation Num\'erique, CINaM, CNRS-UPR 3118, Campus de Luminy, 13288 Marseille, France, D\'epartment de Physique Th\'eorique et Appliqu\'ee, CEA-DAM Ile de France, Bruy\`eres-le-Ch\^atel, 91297 Arpajon Cedex, France, Kyushu University, The Johns Hopkins University, Army Research Laboratory, Queens University Belfast, University of Oxford, LULI, Ecole Polytechnique, RIKEN SPring-8, Kumamoto University, Institut Pprime - UPR CNRS 3346, CEA-DAM DIF, PIMM - Arts et Metiers, CEA, DAM, Le Ripault, F-37260, Monts, France, CEA, DAM, DIF, F91297, Arpajon, France, USAF- Wright Labs