沥青质
色散(光学)
三元运算
碳氢化合物
化学工程
分子动力学
聚合物
降水
化学
材料科学
有机化学
计算化学
计算机科学
光学
物理
工程类
气象学
程序设计语言
作者
Zhong Cheng,Jian Cheng,Xuezhong Zhang,Hua Gan,Hongjun Wu,Haixia Xu,Fu Chen
标识
DOI:10.1002/slct.202501704
摘要
Abstract Asphaltenes, key components of petroleum systems with high molecular weight and strong polarity, pose significant challenges during hydrocarbon extraction and recovery. In the Tarim oilfield, asphaltenes exhibit highly condensed polycyclic aromatic hydrocarbon structures, necessitating the development of targeted inhibitors. This study designed a molecular structure for asphaltene dispersion using molecular dynamics simulations, analyzing radial distribution functions (RDFs), mean square displacement (MSD), and hydrogen bond probabilities. A novel ternary polymer inhibitor (SMN) was synthesized using low‐toxicity butyl acetate instead of conventional aromatic solvents (e.g., toluene). Experimental results demonstrate that SMN enhances the dispersibility of Tarim archipelago‐type asphaltenes by 71.49%, delays precipitation onset by 50%, and reduces particle size from 1704.4 nm to 431.5 nm. For Qinghai island‐type asphaltenes, dispersibility improves by 62.96%, precipitation onset delays by 24%, and particle size decreases from 1421.3 nm to 415.8 nm. This work advances an efficient, eco‐friendly asphaltene inhibition system by elucidating dispersion mechanisms and molecular interactions, offering theoretical and practical insights to optimize hydrocarbon recovery and mitigate asphaltene‐related operational challenges.
科研通智能强力驱动
Strongly Powered by AbleSci AI