Phase Transition of Heptane under Pressure

Barmore, Lauren M.; Rasmussen, Anya M.; Whitfield, Ben; McCluskey, Matthew D.

doi:10.1021/acs.jpcc.3c08496

Phase Transition of Heptane under Pressure

Journal Article · Tue Jan 30 00:00:00 EST 2024 · Journal of Physical Chemistry. C

DOI:https://doi.org/10.1021/acs.jpcc.3c08496· OSTI ID:2305369

^[1]; Rasmussen, Anya M. ^[2]; Whitfield, Ben ^[2]; ^[2]

Washington State University, Pullman, WA (United States); Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States); Institute for Shock Physics, Washington State University
Washington State University, Pullman, WA (United States)

A solid-to-solid phase transition was discovered in n-heptane with an onset at a pressure of 1.7 ± 0.1 GPa, evidenced by a discontinuity in the pressure–volume equation of state obtained from synchrotron X-ray diffraction experiments conducted at room temperature. The phase transition also resulted in discontinuous shifts of vibrational peaks in the infrared spectra. No additional phase transitions were detected up to 10 GPa, contradicting an earlier claim of a phase transition at 3 GPa. Furthermore, the hydrostatic limit of heptane in a diamond anvil cell was estimated to be 3.5 GPa. Above that pressure, the stress state is not well-defined, which may explain prior reports of a phase transition at 7.5 GPa.

View Accepted Manuscript (DOE)

Research Organization:: Lawrence Livermore National Laboratory (LLNL), Livermore, CA (United States); Washington State University, Pullman, WA (United States)

Sponsoring Organization:: USDOE National Nuclear Security Administration (NNSA), Office of Defense Programs (DP); USDOE Office of Science (SC), Basic Energy Sciences (BES); USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE)

Grant/Contract Number:: AC02-05CH11231; AC52-07NA27344; FG02-07ER46386; NA0003957

OSTI ID:: 2305369

Alternate ID(s):: OSTI ID: 2315025
OSTI ID: 2325291

Report Number(s):: LLNL--JRNL-857175

Journal Information:: Journal of Physical Chemistry. C, Journal Name: Journal of Physical Chemistry. C Journal Issue: 5 Vol. 128; ISSN 1932-7447

Publisher:: American Chemical SocietyCopyright Statement

Country of Publication:: United States

Language:: English

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