分子模拟技术在油田化学剂研究中的应用  

Applications of Molecular Simulation Technology in Oilfield Chemical Agents Study

作　　者：杨帆[1] 杨小华[1] 王琳[1] 何剑[1] 

机构地区：[1]中国石化石油工程技术研究院,北京100101

出　　处：《中外能源》2015年第8期46-50,共5页Sino-Global Energy

摘　　要：近年来分子模拟技术广泛应用于药物设计、材料科学、石油化工等领域,在油田化学中的应用尚处于起步阶段,但发展迅速。从钻井用化学剂、采油用化学剂、原油集输用化学剂三个方面,介绍了分子模拟技术在油田化学剂设计及化学现象研究中的应用。其中化学剂包括了钻井、固井用黏土稳定剂、降滤失剂、增稠剂,采油用驱油剂、缓蚀剂以及原油集输用破乳剂、流动改进剂等,重点综述了目前利用分子力学、分子动力学等方法,通过模拟计算单个分子或分子体系的性质(结构、构象、热力学特性、相态转变等),从而进行油田化学剂理论模型建立、分子结构设计、合成路线优化、作用过程演示、实验现象解析、材料性能预测等方面的研究工作。最后明确了分子模拟技术相对于传统实验的优势所在,指出了该技术在油田化学剂研究领域推广应用存在的困难和发展前景。Molecular simulation technology has been widely applied in the fields of drug design, materials science and petrochemistry in recent years.Until now the use of this technology in oilfield chemistry is still at the beginning but is developing rapidly.The applications of molecular simulation in the oilfield chemical a-gents design and chemical phenomena study were introduced in terms of drilling,oil recovery and gathering and transportation.Clay stabilizer,filtrate reducer,thickener for drilling and cementing,oil displacing agent,corrosion inhibitor for oil recovery and demulsifier and flow improver for oil gathering and transportation were included.Chemical agents modeling,molecular structure design,synthesis route optimization,mechanism demonstration,experiment phenomenon explanation and material performance prediction were studied through analog computation on a single molecular or molecular systems（structure,conformation,thermodynamic property,phase transition,etc.） by using molecular mechanics and molecular dynamics methods.The advantages of the molecu-lar simulation compared with conventional experiments were specified,the difficulties and prospects of promoting this technology in the study of oilfield chemical agent were also pointed out.

关 键 词：分子模拟 油田化学剂 钻井 采油 原油集输 

分 类 号：TE39[石油与天然气工程—油气田开发工程]