A MECHANISTIC STUDY OF LOW-DOSAGE INHIBITORS OF CLATHRATE HYDRATE FORMATION

摘要

In this paper we present results from a combined theoretical and experimental study of low dosage inhibitors (LDIs) for hydrate formation. Molecular dynamics and Monte Carlo simulations have been used to develop a detailed analysis of the structural changes that occur on the molecular level when inhibitors are added to a hydrate interface. The results are compared with experimental measurements of the LDI activity, performed as part of this study. The combination of molecular modelling and experimental probes is shown to give valuable insight into the mechanisms of inhibition.