LAUSR

Abstract In this study, the effect of aqueous ions and sediment inhibitors on asphaltene aggregation was investigated. The effect of NaCl, MgCl2 and CaCl2 salts on three asphaltene models of M1, A1 and modified Yen and also the combined effect of two different inhibitors and these salts have been investigated by using molecular dynamics (MD). The results showed that due to presence of Na+, Mg2+ and Ca2+ cations, asphaltene aggregation has an ascending, descending, ascending trend, respectively and the amount of asphaltene aggregation in the A1 model due to having more electronegative atoms is higher than the other two. In the presence of diethylene triamine-penta methylene phosphonic acid (DETPMP) and poly-phosphino carboxylic acid (PPCA) inhibitors, the amount of sediment was reduced in all three models of asphaltene, but the asphaltene aggregation with the presence of DETPMP inhibitor significantly decreases due to the delay in the growth of crystals.