| 引用本文: | 张东兴,张兵,王冠辉,王世刚,贾近,陈雨时.玻璃钢与含CO2流体界面模型与MS模拟[J].材料科学与工艺,2016,24(2):58-62.DOI:10.11951/j.issn.1005-0299.20160207. |
| ZHANG Dongxing,ZHANG Bing,WANG Guanhui,WANG Shigang,JIA Jin,CHEN Yushi.The interfacial structure and MS simulation of GFRP in transfering fluid containing CO2[J].Materials Science and Technology,2016,24(2):58-62.DOI:10.11951/j.issn.1005-0299.20160207. |
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| 玻璃钢与含CO2流体界面模型与MS模拟 |
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张东兴1,张兵1,2,王冠辉1,王世刚3,贾近1,陈雨时1
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(1.哈尔滨工业大学 材料科学与工程学院,哈尔滨 150001;2.斯达玻璃钢有限公司,哈尔滨 150001; 3.中国石油吉林油田公司 勘察设计院,吉林 松原 138000)
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| 摘要: |
| 在CO2驱油项目中，由于CO2是以超临界状态与水交替注入井下，局部形成了具有腐蚀性的CO2和水的混合物.为研究玻璃钢(GFRP)与这种混合物的界面间相互作用，本文采用Material Studio(MS)模拟软件建立了环氧树脂与链烃、水、CO2、H2CO3 4种纯净物流体之间的界面模型，以及树脂与链烃/水/CO2、链烃/H2CO3 2种混合流体间的界面模型，并通过分子动力学计算得到了6种界面模型的最低能量结构和界面能.结果表明,链烃与树脂界面几乎不吸附，CO2、水与树脂界面吸附较差，H2CO3与树脂界面能较高，能与树脂中的—NH2、—OH基团形成氢键具有较好的吸附作用，即H2CO3是混合体系中与环氧树脂作用的主要物质.
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| 关键词: 玻璃钢 环氧树脂 分子模拟 界面模型 CO2 |
| DOI：10.11951/j.issn.1005-0299.20160207 |
| 分类号:TB332 |
| 文献标识码:A |
| 基金项目:国家科技重大专项(2011ZX05016-004). |
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| The interfacial structure and MS simulation of GFRP in transfering fluid containing CO2 |
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ZHANG Dongxing1, ZHANG Bing1,2, WANG Guanhui1, WANG Shigang3, JIA Jin1, CHEN Yushi1
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(1.School of Materials Science and Engineering, Harbin Institute of Technology, Harbin 150001, China; 2.Star Fiberglass Harbin Co. LTD, Harbin 150088, China; 3.Survey & Design Institute, China National Petroleum Corporation Jilin Oilfield, Songyuan 138000, China)
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| Abstract: |
| It is significant to focus on the corrosion of GFRP in CO2 flooding project because the corrosive mixture of CO2 and water are formed when CO2 is injected underground alternatively with water at supercritical state. The interfacial models between GFRP and hydrocarbon, H2O, CO2, H2CO3, hydrocarbons/H2O/CO2 and hydrocarbons/H2CO3 were established by Material Studio to investigate the effects of interface . The interfacial energy and minimum energy structure for six kinds of interface models are obtained through the molecular dynamics simulation. The results show that the hydrocarbon is merely adsorbed by epoxy resin, and CO2 and H2O are absorbed at very limited level, respectively. However the adsorption between the resin and H2CO3 is remarkable compared with other fluent, and hydrogen bond was formed between —NH2 and —OH. It can be deduced that the H2CO3 is the main substance act with amine cured GFRP in the mixture.
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| Key words: GFRP epoxy molecular simulation interfacial model CO2 |
