An official website of the United States government
Here’s how you know
Official websites use .gov
A .gov website belongs to an official government organization in the United States.
Secure .gov websites use HTTPS
A lock (
) or https:// means you’ve safely connected to the .gov website. Share sensitive information only on official, secure websites.
Seyed M. Razavi, Richard A. Messerly, J. R. Elliott
In this work, an isothermal-isochoric integration (ITIC) method is proposed and tested as a viable method for vapor pressure calculation by molecular simulation. Several tests were carried out to validate the method which resulted in less than 1 %
Richard A. Messerly, Michelle C. Anderson, S. M. Razavi, J. R. Elliott
In response to the 10th Industrial Fluid Properties Simulation Challenge, we report viscosity (eta) estimates of 2,2,4-trimethylhexane at 293 K for a range of pressures (P) from 0.1 MPa to 1000 MPa. The Potoff force field is utilized in this study, as a