Open AccessThermodynamic properties of propane and methane hydrates doped with sodium hydroxide
Author(s) -
Kirill V. Gets,
Ravil К. Zhdanov,
Yu. Yu. Bozhko,
В. Р. Белослудов
Publication year - 2021
Publication title -
journal of physics. conference series
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.21
H-Index - 85
eISSN - 1742-6596
pISSN - 1742-6588
DOI - 10.1088/1742-6596/2057/1/012075
Subject(s) - propane , methane , sodium hydroxide , chemistry , helmholtz free energy , doping , thermodynamics , atmospheric temperature range , inorganic chemistry , analytical chemistry (journal) , materials science , organic chemistry , physics , optoelectronics
Pure and sodium hydroxide doped with single-component hydrates of methane and propane are studied using molecular and lattice dynamics methods. Vibration density of states and the dependence of Helmholtz free energy on temperature and cell volume are calculated. Dynamic stability of empty and filled by gas sI and sII structures doped with 1 or 2 NaOH molecule is shown in the wide range of temperature values. Comparison of free energy values allows calculating the thermal expansion coefficient and demonstrating the possibility of self-preservation effect in NaOH-doped methane and propane hydrates with ~1.8 and ~1.4 mol% of sodium hydroxide, respectively.