{"title":"利用分子动力学模拟研究外磁场对防止蜡/asphaltene 纳米结构沉积过程的影响","authors":"Jianguo Shao , Nawfel M.H. Al-Aragi , Dheyaa J. Jasim , Munthar Kadhim Abosaoda , Shirin Shomurotova , Soheil Salahshour , As'ad Alizadeh , M. Hekmatifar","doi":"10.1016/j.icheatmasstransfer.2024.108340","DOIUrl":null,"url":null,"abstract":"<div><h3>Background:</h3><div>A critical challenge in extraction and exploitation in the oil industry is the buildup of crude oil in surface tanks and transmission lines. This leads to the development of heavy organic compounds like wax and asphaltene, which can further result in sediment formation. This issue is particularly prevalent in oil facilities and transmission systems.</div></div><div><h3>Methods</h3><div>To address this concern, a recent study focused investigating the effect of varying the frequency and amplitude of an external magnetic force on preventing precipitation in a Fe<sub>3</sub>O<sub>4</sub>@SiO<sub>2</sub>/wax/asphaltene nanostructure. This investigation was carried out using molecular dynamics simulation techniques. The results of this study indicate that after completing the molecular dynamics simulation, the kinetic energy of the analyzed structure reached the convergence point of 0.89 kcal/mol. Also, during the structural equilibrium phase, the total energy of the studied structure was stabilized at 32.34 kcal/mol, which indicated the stability obtained in the simulated system. This study showed that by increasing the frequency of external magnetic force from 0.01 to 0.05 fs<sup>−1</sup>, the viscosity value of the structure increased from 1092 to 1106 mPa.s. This occurred as the frequency of external magnetic force increased, reducing the agglomeration time in the structure from 8.61 to 8.43 ns. On the other hand, increasing the amplitude of external magnetic force from 0.1 to 0.5 T caused a significant decrease in the viscosity of the structure. It reduced it from 1092 to 1028 mPa·s.</div></div><div><h3>Significant findings</h3><div>Finally, this increase in the amplitude of external magnetic force produced a corresponding trend in the structure's agglomeration time, which increased from 8.61 to 9.03 ns. By optimizing oil flow in pipelines, the results of this study could have significant applications in the oil industry. The precise control of external magnetic forces can minimize the buildup of wax and asphaltene, which leads to a smoother and more efficient oil transportation process. Furthermore, by reducing the frequency of blockages and sediment formation, the need for maintenance and cleaning operations would decrease, ultimately lowering operational costs and enhancing the overall efficiency of extraction and transportation systems.</div></div>","PeriodicalId":332,"journal":{"name":"International Communications in Heat and Mass Transfer","volume":"159 ","pages":"Article 108340"},"PeriodicalIF":6.4000,"publicationDate":"2024-11-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Investigating the effect of external magnetic field on preventing deposition process in wax/asphaltene nanostructure using molecular dynamics simulation\",\"authors\":\"Jianguo Shao , Nawfel M.H. Al-Aragi , Dheyaa J. Jasim , Munthar Kadhim Abosaoda , Shirin Shomurotova , Soheil Salahshour , As'ad Alizadeh , M. Hekmatifar\",\"doi\":\"10.1016/j.icheatmasstransfer.2024.108340\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><h3>Background:</h3><div>A critical challenge in extraction and exploitation in the oil industry is the buildup of crude oil in surface tanks and transmission lines. This leads to the development of heavy organic compounds like wax and asphaltene, which can further result in sediment formation. This issue is particularly prevalent in oil facilities and transmission systems.</div></div><div><h3>Methods</h3><div>To address this concern, a recent study focused investigating the effect of varying the frequency and amplitude of an external magnetic force on preventing precipitation in a Fe<sub>3</sub>O<sub>4</sub>@SiO<sub>2</sub>/wax/asphaltene nanostructure. This investigation was carried out using molecular dynamics simulation techniques. The results of this study indicate that after completing the molecular dynamics simulation, the kinetic energy of the analyzed structure reached the convergence point of 0.89 kcal/mol. Also, during the structural equilibrium phase, the total energy of the studied structure was stabilized at 32.34 kcal/mol, which indicated the stability obtained in the simulated system. This study showed that by increasing the frequency of external magnetic force from 0.01 to 0.05 fs<sup>−1</sup>, the viscosity value of the structure increased from 1092 to 1106 mPa.s. This occurred as the frequency of external magnetic force increased, reducing the agglomeration time in the structure from 8.61 to 8.43 ns. On the other hand, increasing the amplitude of external magnetic force from 0.1 to 0.5 T caused a significant decrease in the viscosity of the structure. It reduced it from 1092 to 1028 mPa·s.</div></div><div><h3>Significant findings</h3><div>Finally, this increase in the amplitude of external magnetic force produced a corresponding trend in the structure's agglomeration time, which increased from 8.61 to 9.03 ns. By optimizing oil flow in pipelines, the results of this study could have significant applications in the oil industry. The precise control of external magnetic forces can minimize the buildup of wax and asphaltene, which leads to a smoother and more efficient oil transportation process. Furthermore, by reducing the frequency of blockages and sediment formation, the need for maintenance and cleaning operations would decrease, ultimately lowering operational costs and enhancing the overall efficiency of extraction and transportation systems.</div></div>\",\"PeriodicalId\":332,\"journal\":{\"name\":\"International Communications in Heat and Mass Transfer\",\"volume\":\"159 \",\"pages\":\"Article 108340\"},\"PeriodicalIF\":6.4000,\"publicationDate\":\"2024-11-15\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"International Communications in Heat and Mass Transfer\",\"FirstCategoryId\":\"5\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0735193324011023\",\"RegionNum\":2,\"RegionCategory\":\"工程技术\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"MECHANICS\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"International Communications in Heat and Mass Transfer","FirstCategoryId":"5","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0735193324011023","RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"MECHANICS","Score":null,"Total":0}
Investigating the effect of external magnetic field on preventing deposition process in wax/asphaltene nanostructure using molecular dynamics simulation
Background:
A critical challenge in extraction and exploitation in the oil industry is the buildup of crude oil in surface tanks and transmission lines. This leads to the development of heavy organic compounds like wax and asphaltene, which can further result in sediment formation. This issue is particularly prevalent in oil facilities and transmission systems.
Methods
To address this concern, a recent study focused investigating the effect of varying the frequency and amplitude of an external magnetic force on preventing precipitation in a Fe3O4@SiO2/wax/asphaltene nanostructure. This investigation was carried out using molecular dynamics simulation techniques. The results of this study indicate that after completing the molecular dynamics simulation, the kinetic energy of the analyzed structure reached the convergence point of 0.89 kcal/mol. Also, during the structural equilibrium phase, the total energy of the studied structure was stabilized at 32.34 kcal/mol, which indicated the stability obtained in the simulated system. This study showed that by increasing the frequency of external magnetic force from 0.01 to 0.05 fs−1, the viscosity value of the structure increased from 1092 to 1106 mPa.s. This occurred as the frequency of external magnetic force increased, reducing the agglomeration time in the structure from 8.61 to 8.43 ns. On the other hand, increasing the amplitude of external magnetic force from 0.1 to 0.5 T caused a significant decrease in the viscosity of the structure. It reduced it from 1092 to 1028 mPa·s.
Significant findings
Finally, this increase in the amplitude of external magnetic force produced a corresponding trend in the structure's agglomeration time, which increased from 8.61 to 9.03 ns. By optimizing oil flow in pipelines, the results of this study could have significant applications in the oil industry. The precise control of external magnetic forces can minimize the buildup of wax and asphaltene, which leads to a smoother and more efficient oil transportation process. Furthermore, by reducing the frequency of blockages and sediment formation, the need for maintenance and cleaning operations would decrease, ultimately lowering operational costs and enhancing the overall efficiency of extraction and transportation systems.
期刊介绍:
International Communications in Heat and Mass Transfer serves as a world forum for the rapid dissemination of new ideas, new measurement techniques, preliminary findings of ongoing investigations, discussions, and criticisms in the field of heat and mass transfer. Two types of manuscript will be considered for publication: communications (short reports of new work or discussions of work which has already been published) and summaries (abstracts of reports, theses or manuscripts which are too long for publication in full). Together with its companion publication, International Journal of Heat and Mass Transfer, with which it shares the same Board of Editors, this journal is read by research workers and engineers throughout the world.