Physical and Chemical Changes of Hydrogen Peroxide Under High Pressures

Physical and chemical changes of hydrogen peroxide under high pressures

Jing-Yin Chen and Choong-Shik Yoo (PI) Washington State University, Pullman, Washington 99164 ) -1 1575 9.5% 19.6%

Motivations and Objectives Phase Transitions in H2O2 Behaviors 1550 of Binary Mixtures: H2O + H2O2 1525 RamanShifts (cm Ref: H. Cynn, S.A. Sheffield & C.S. Yoo, J Chem. Phys. 110, 1999, 6836-6843 C (wt %) Raman Spectral Evidence H2O2 Structural Evidence downloading 10 30 50 70 90 5 (b) H O -I H O -II H O -I Transition 2 2 2 2 2 2 H O -II 0 10 1040 Zone 2 2 tetragonal orthorhombic 19.6%

4 GPa 3.3

8 c ) 9.5%

-1 1000

44 b melting

6 GPa 2.6 40 3 (c) (a) 960 35 32 4 a

Lattice Parameters (A) Parameters Lattice a 2 25 (GPa) P decomposition * 920 16 H O -I 2 2 Raman Shift (cm RamanShift 16 5 1 O in H-type 2 3 GPa V=8.6% water cage 880 O in D-type O2 hydrate clathrates 2 800 1000 1200

water cage 0 1 2

/mol) 14

 O 0 10 20 30 40 50 3 0 20 40 60 80 100 2 (9.5% H O ) Pressure (GPa) C (mole %) 2 2 H O -II H2O2  H O is a strong oxidizer and even explosive, and is often used as IED (cm V 2 2 2 2 12 4 D-type Ref: J.Y. Chen and C.S. Yoo, J. Chem. Phys. 132, 214501 (2010)  Phase transition occurs at lower pressure3 for Intensity (a.u.) H-type  Stability and behavior of H2O2 and water mixtures are not known

0 5 10 15 20 25 30 35 40 diluted samples.  O  Shock-induced detonation of concentrated H2O2 has been observed at ~13-15 GPa 2 Pressure (GPa) (19.6% H O )  Oxygen clathrates are observed at low 2 2  Behaviors of highly concentrated H2O2 are not known under static high pressures concentrated mixtures 5 6  Phase transition at 13 GPa from H2O2-I to -II, based on Raman and x-ray data 1520 1540 1560 1580 Raman Shifts (cm-1) Mitigating chemical and shock threats of H O requires understanding  It accompanies a volume collapse of ~ 8.6% 2 2 The presence of water stabilizes the H2O2 mixtures by  Pure H O is chemically stable to pressures 18 GPa of the stability of H2O2-H2O mixtures at relevant thermal conditions 2 2 forming stronger hydrogen bonds

Experimental Approach Chemical Decomposition of Compressed H2O2 Detonation in Shocked H2O2 Under Static High Pressure at WSU O from H O decomposition EOS comparison of H O , H O, O Homogenous detonation model 2 2 2 2 2 2 2 1700 20 H O -I H O -II 2 2 2 2 us(O2) H +O Pure O 18 2 2

2 )

-1 Decomposition 16

H O + ½ O starts H O -I 2 2 2 2 14  /mol)

1600 3

44 12 V (cm V H O -II 25 2 2 10 O Raman (cm Shift  -O 2 2 19

Diamond anvil cell Confocal micro-Raman Synchrotron x-rays 3 GPa 8 H O 2 Pressurizing Phase mapping Characterization 1500 1600 1700 1500 6 0 10 20 30 40 50 0 10 20 30 40 50 Pressure (GPa) Under Dynamic High Pressure at LANL P (GPa) H2O2 decomposition across the melting at 2.5 GPa

H2O2 O 2  98 % H2O2 detonates at 6.7 Km/s (13-15 GPa).  It seems to follow homogenous detonation model based on the spatially resolved wave profile measurement  The work has been done in collaboration with D. Dattelbaum and S.

H2O Sheffield In LANL Is shock-induced detonation different from the static H2O2 target with stress gauge Loading H2O2 2-Stage gas gun Decomposition of H2O2 is driven by densification and melting pressure-induced decomposition ?

The work has been supported by the US DHS under the grant number 2008-ST-061-ED0001. For details, please contact [email protected] or [email protected]