On the synergistic effect of asphaltene and surfactant to reduce n-dodecane-water interfacial tension: insights from molecular dynamics simulations

被引：10

作者：

Peng, Baoliang ^{[1
,2
]}

Xiao, Shaofei ^{[3
]}

Wang, Yuanyuan ^{[1
,2
]}

Qu, Zhou ^{[3
]}

Yuan, Lingfang ^{[3
]}

Liu, Weidong ^{[1
,2
]}

Hou, Qingfeng ^{[1
,2
]}

Tang, Xianqiong ^{[3
,4
]}

Pei, Yong ^{[3
]}

机构：

[1] PetroChina, Res Inst Petr Explorat & Dev RIPED, Beijing, Peoples R China

[2] CNPC, Key Lab Oilfield Chem, Beijing, Peoples R China

[3] Xiangtan Univ, Key Lab Green Organ Synth & Applicat Hunan Prov, Key Lab Environmentally Friendly Chem & Applicat, Minist Educ, Xiangtan, Peoples R China

[4] Xiangtan Univ, Dept Civil Engn & Mech, Xiangtan, Peoples R China

来源：

MOLECULAR SIMULATION | 2022年 / 48卷 / 12期

基金：

中国国家自然科学基金;

关键词：

Interfacial activity; asphaltene; synergistic effect; DISSIPATIVE PARTICLE DYNAMICS; ALKYL BENZENE SULFONATE; ENHANCED OIL-RECOVERY; NONIONIC SURFACTANT; OIL/WATER INTERFACE; CRUDE-OIL; BEHAVIOR; MODEL; ADSORPTION; MONOLAYERS;

D O I：

10.1080/08927022.2022.2072494

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

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.

引用

页码：1133 / 1142

页数：10

共 51 条

[31] Self-Accumulation of Uncharged Polyaromatic Surfactants at Crude Oil-Water Interface: A Mesoscopic DPD Study [J].