陆原,赵景茂,李明杰,张晨,Vahdat Zahedi Asl,Yahya Palizdar,樊保民.利用FFV预测缓蚀剂在不同体系中的协同效应[J].表面技术,2020,49(11):58-65.
LU Yuan,ZHAO Jing-mao,LI Ming-jie,ZHANG Chen,Vahdat Zahedi Asl,Yahya Palizdar,FAN Bao-min.Prediction on Synergistic Effect of Inhibitors in Different Systems by Fractional Free Volumes[J].Surface Technology,2020,49(11):58-65 |
| 利用FFV预测缓蚀剂在不同体系中的协同效应 |
| Prediction on Synergistic Effect of Inhibitors in Different Systems by Fractional Free Volumes |
| 投稿时间：2020-10-10 修订日期：2020-11-09 |
| DOI：10.16490/j.cnki.issn.1001-3660.2020.11.007 |
| 中文关键词: 缓蚀剂 缓蚀率 腐蚀 协同效应 自由体积分数 |
| 英文关键词:corrosion synergistic effect fraction free volume corrosion inhibitor inhibition efficiency |
| 基金项目: |
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| Author | Institution |
| LU Yuan | CenerTech Oilfield Chemical Co., Ltd, Tianjin 300450, China |
| ZHAO Jing-mao | School of Materials Science and Engineering, Beijing University of Chemical Technology, Beijing 100029, China |
| LI Ming-jie | School of Materials Science and Engineering, Beijing University of Chemical Technology, Beijing 100029, China |
| ZHANG Chen | South China Branch, PipeChina Co., Ltd, Guangzhou 510620, China |
| Vahdat Zahedi Asl | School of Materials Science and Engineering, Beijing University of Chemical Technology, Beijing 100029, China |
| Yahya Palizdar | Nanotechnology and Advanced Materials Department, Materials and Energy Research Center, Karaj 31787-316, Iran |
| FAN Bao-min | School of Materials and Mechanical Engineering, Beijing Technology and Business University, Beijing 100048, China |
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| 中文摘要: |
| 目的 研究一种分析缓蚀组分间协同效应的新方法。方法 使用Material Studio 7.0软件中的Amorphous Cell模块进行对象构建，在不同体系中利用Discover模块进行优化和运算，以水分子为探针进行FFV值测试，模拟计算得到FFV，再利用其变化率，来预测缓蚀组分间的协同效应，并通过传统方法验证该方法的正确性。结果 FFV模拟结果表明，在CO2体系中，MTIAS与AB2N具有协同效应，当二者按照摩尔比3∶2复配时的FFV最小，FFV的变化值D值最大，协同效应最好，缓蚀效率最高，而MTIAS与CPQA没有明显协同效应。在CO2/H2S体系中，MTIAS与CPQA按照摩尔比4∶1复配时的FFV最小，D值最大，协同效应最好，缓蚀效率最高;而当按照摩尔比1:4复配时，却出现了明显的拮抗效应，此时MTIAS与AB2N没有明显协同效应。失重法、极化曲线的测试结果与上述结果吻合。结论 通过缓蚀剂膜层的FFV预测缓蚀组分间的协同效应，是一种快速有效的研究方法。 |
| 英文摘要: |
| The work aims to study a new method to analyze the synergistic effect between inhibitors. The amorphous cell module in material studio 7.0 software was used to construct object. In different systems, discover module was employed for optimization and calculation and carry out FFV test with water molecule as the probe to obtain FFV through simulation and calculation. Then, the change rate of FFV was adopted to predict the synergistic effect between inhibitors and the correctness of the method was verified by traditional method. From the simulation result of FFV, MTIAS and AB2N had synergistic effect in CO2 system. When these two components were combined in accordance with the mole ratio of 3∶2, FFV was the smallest, FFV had the maximum change value D, the best synergistic effect and the highest inhibition efficiency, while MTIAS and CPQA had no obvious synergistic effect. In CO2/H2S system, when MTIAS and CPQA were combined with a mole ratio of 4:1, FFV was the smallest, D was the largest, the synergistic effect was the best, and the inhibition efficiency was the highest. However, when MTIAS and CPQA were combined with a mole ratio of 1∶4, there was obvious antagonistic effect. MTIAS and AB2N had no obvious synergistic effect. The results of weight-loss method and the polarization curve test were in agreement with the above results. It is a fast and effective method to predict the synergistic effect of inhibitors by FFV of inhibitor film. |
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