A molecular dynamics study of the pressure-volume-temperature properties of super-critical fluids: I. H 2 O

Details A molecular dynamics study of the pressure-volume-temperature properties of super-critical fluids: I. H 2 O A molecular dynamics study of the pressure-volume-temperature properties of super-critical fluids: I. H 2 O

Jan 1991

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=1991gecoa..55..381b&link_type=abstract

Geochimica et Cosmochimica Acta, vol. 55, Issue 1, pp.381-387

Physics

24

Scientific paper

The method of molecular dynamics (MD) is used to simulate the pressure-volume-temperature ( PVT ) of water in the pressure range of 5 kbar to 1 megabar and in the temperature range of 700 to 4000 K. For the MD simulation, we use the exponential-6 form for the intermolecular potential. The parameters of the potential are calculated from the available experimental PVT data. The MD-simulated data fit the experimental (static) and the shock-wave data well. An equation of state based on the experimental and MD-simulated data is as follows: P = a / V + b / V 2 + c / V 4.586 where a = 1.40203·1 E + 5 - 41.2336 T , b = -7.72779·1 E + 6 + 6.70124·1 E + 3· T , c = 6.52012·1 E + 9 - 0.45580·1 E + 6· T , T in K and P in bar.

Affiliated with

Also associated with

No associations

Rating

A molecular dynamics study of the pressure-volume-temperature properties of super-critical fluids: I. H 2 O 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 A molecular dynamics study of the pressure-volume-temperature properties of super-critical fluids: I. H 2 O, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and A molecular dynamics study of the pressure-volume-temperature properties of super-critical fluids: I. H 2 O will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-1895355