Computer Science
Scientific paper
Oct 1992
adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1992gecoa..56.3839d&link_type=abstract
Geochimica et Cosmochimica Acta (ISSN 0016-7037), vol. 56, no. 10, p. 3839-3845.
Computer Science
4
Computerized Simulation, Equations Of State, Lennard-Jones Potential, Methane, Molecular Gases, Carbon Dioxide, Carbon Monoxide, Chlorine, Gas Pressure, Gas Temperature, Hydrogen, Nitrogen, Oxygen, Volume
Scientific paper
The PVT properties of CH4 from 30-360 cu cm mol and roughly from 273-2000 K and from 100-20,000 bar have been simulated by molecular dynamics using Lennard-Jones potentials. The simulated results compare with data within 1.5 percent in volume. Using these simulated values and experimental PVT data, an equation of state (EOS) was developed. Because of the choice of potential, a simple scaling generalizes the EOS to predict the supercritical PVT properties of CO2, N2, CO, H2, O2, and Cl2 within an average error of about 1.5 percent.
Duan Zhenhao
Moller Nancy
Weare John H.
No associations
LandOfFree
Molecular dynamics simulation of PVT properties of geological fluids and a general equation of state of nonpolar and weakly polar gases up to 2000 K and 20,000 bar does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.
If you have personal experience with Molecular dynamics simulation of PVT properties of geological fluids and a general equation of state of nonpolar and weakly polar gases up to 2000 K and 20,000 bar, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and Molecular dynamics simulation of PVT properties of geological fluids and a general equation of state of nonpolar and weakly polar gases up to 2000 K and 20,000 bar will most certainly appreciate the feedback.
Profile ID: LFWR-SCP-O-1869941