Industrial property prediction using Towhee and LAMMPS

Martin, MG; Thompson, AP

FLUID PHASE EQUILIBRIA, 217 (1): 105-110 MAR 10 2004

DOI: 10.1016/j.fluid.2003.06.007

Results are presented for Part 2 (density) and Part 3 (viscosity) of the First Industrial Fluid Properties Simulation Challenge (FIFPSC). In both cases, the physical properties were calculated using existing published force fields not specifically tuned to the problem at hand. No assessment of the accuracy of our predictions was made until the experimental values for each problem set were announced at the end of the competition.

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