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Simulating Vapor–Liquid Equilibria of PH3, AsH3, and SbH3 from First Principles
- Source :
- The Journal of Physical Chemistry C. 125:5380-5385
- Publication Year :
- 2021
- Publisher :
- American Chemical Society (ACS), 2021.
-
Abstract
- Because of their toxicity, flammability, and chemical instability, the vapor–liquid equilibria of the group V hydrides, phosphine, arsine, and stibine are underexplored. Gibbs ensemble Monte Carlo ...
- Subjects :
- Canonical ensemble
Materials science
Stibine
Monte Carlo method
Thermodynamics
02 engineering and technology
010402 general chemistry
021001 nanoscience & nanotechnology
01 natural sciences
0104 chemical sciences
Surfaces, Coatings and Films
Electronic, Optical and Magnetic Materials
Chemical instability
chemistry.chemical_compound
General Energy
Arsine
chemistry
Vapor liquid
Physical and Theoretical Chemistry
0210 nano-technology
Phosphine
Flammability
Subjects
Details
- ISSN :
- 19327455 and 19327447
- Volume :
- 125
- Database :
- OpenAIRE
- Journal :
- The Journal of Physical Chemistry C
- Accession number :
- edsair.doi...........5dde5e45079db2fa351a16796bd24c1d
- Full Text :
- https://doi.org/10.1021/acs.jpcc.0c11495