On the synergistic effect of asphaltene and surfactant to reduce n-dodecane–water interfacial tension: insights from molecular dynamics simulations. Issue 12 (13th August 2022)

• Record Type: Journal Article
• Authors: Peng, Baoliang; Xiao, Shaofei; Wang, Yuanyuan; Qu, Zhou; Yuan, Lingfang; Liu, Weidong; Hou, Qingfeng; Tang, Xianqiong; Pei, Yong
• Is Part Of: Molecular simulation. Volume 48:Issue 12(2022)
• Page Start: 1133
• Page End: 1142
• Publication Date: 2022-08-13
• Subjects: Interfacial activity -- asphaltene -- synergistic effect; Molecular dynamics -- Computer simulation -- Periodicals; Statistical mechanics -- Computer simulation -- Periodicals; 539.6
• DOI: 10.1080/08927022.2022.2072494
• Languages: English
• ISSNs: 0892-7022

Abstract

ABSTRACT: The adsorption behaviours of three typical surfactants at n -dodecane–water and n -dodecane + asphaltene–water interfaces were systematically studied by atomic molecular dynamics (MD) simulation. The theoretical simulation results show that surfactants and asphaltene molecules have different synergistic effects in reducing interfacial tension. For surfactants SDBS and OP-10, the increase of interfacial concentration leads to the dissociation of asphaltene molecular aggregation structure and the further reduction of interfacial tension. However, DTAB showed the opposite effect. The increase of surfactant interfacial concentration leads to the increase of asphaltene aggregation. With the increase of surfactant interfacial concentration, the interaction between surfactant and asphaltene is not conducive to further reduce the interfacial tension.