Fluid Phase Equilibria, Vol.116, No.1-2, 320-325, 1996
Molecular-Dynamics Simulation of Hydrogen-Bonding in Monoethanolamine
We present the results of NVT molecular dynamics simulation for pure liquid monoethanolamine for several temperatures and densities corresponding to states of vapour-liquid equilibrium. We analyze radial distribution functions for information about hydrogen bonding.
Keywords:INTERMOLECULAR POTENTIAL FUNCTIONS