{"title":"含EVA和F2603的铝化炸药出油特性比较研究","authors":"J. Tao, Xiaofeng Wang, K. Zhang","doi":"10.1142/s0219633620500352","DOIUrl":null,"url":null,"abstract":"In order to compare the influence of binders on the oily exudation of cyclotrimethylenetrinitramine (RDX) based aluminized explosives, polyvinyl acetate (EVA) and copolymer of vinylidene fluoride and perfluoropropylene (F2603) were selected as binders, which are most commonly used in the press-packed explosives. Herein, the binding energies of wax with the components of RDX-based aluminized explosives containing EVA and F2603 were predicted. Then, the migration models of wax in EVA and F2603 were constructed respectively, and the migration rate of wax in two binders was also calculated. Finally, experimental verification was carried out for wax migration in the two aluminized explosives. The results show that the binding energies of wax with other components of RDX-based composite explosive are all positive, which indicates that the physical compatibility of RDX-based aluminized explosives containing EVA and F2603 is excellent. In addition, wax interacts with the other components of RDX-based explosives mainly via Van der Waals force. However, the binding strength of wax with RDX crystals and binders decreases with the increase of temperature. The type of binders has a great influence on the migration rate of wax, and the oily exudation rate of wax in F2603 is about 4 times than that in EVA both at 298 K and 344 K. Meanwhile, the polymer configuration greatly changes the migration rate of wax. The calculated results are in good agreement with the experimental results.","PeriodicalId":49976,"journal":{"name":"Journal of Theoretical & Computational Chemistry","volume":null,"pages":null},"PeriodicalIF":2.4000,"publicationDate":"2020-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Comparative study on the oily exudation of aluminized explosives containing EVA and F2603\",\"authors\":\"J. Tao, Xiaofeng Wang, K. Zhang\",\"doi\":\"10.1142/s0219633620500352\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"In order to compare the influence of binders on the oily exudation of cyclotrimethylenetrinitramine (RDX) based aluminized explosives, polyvinyl acetate (EVA) and copolymer of vinylidene fluoride and perfluoropropylene (F2603) were selected as binders, which are most commonly used in the press-packed explosives. Herein, the binding energies of wax with the components of RDX-based aluminized explosives containing EVA and F2603 were predicted. Then, the migration models of wax in EVA and F2603 were constructed respectively, and the migration rate of wax in two binders was also calculated. Finally, experimental verification was carried out for wax migration in the two aluminized explosives. The results show that the binding energies of wax with other components of RDX-based composite explosive are all positive, which indicates that the physical compatibility of RDX-based aluminized explosives containing EVA and F2603 is excellent. In addition, wax interacts with the other components of RDX-based explosives mainly via Van der Waals force. However, the binding strength of wax with RDX crystals and binders decreases with the increase of temperature. The type of binders has a great influence on the migration rate of wax, and the oily exudation rate of wax in F2603 is about 4 times than that in EVA both at 298 K and 344 K. Meanwhile, the polymer configuration greatly changes the migration rate of wax. The calculated results are in good agreement with the experimental results.\",\"PeriodicalId\":49976,\"journal\":{\"name\":\"Journal of Theoretical & Computational Chemistry\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":2.4000,\"publicationDate\":\"2020-12-01\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Journal of Theoretical & Computational Chemistry\",\"FirstCategoryId\":\"1085\",\"ListUrlMain\":\"https://doi.org/10.1142/s0219633620500352\",\"RegionNum\":0,\"RegionCategory\":null,\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"Computer Science\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Journal of Theoretical & Computational Chemistry","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1142/s0219633620500352","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"Computer Science","Score":null,"Total":0}
Comparative study on the oily exudation of aluminized explosives containing EVA and F2603
In order to compare the influence of binders on the oily exudation of cyclotrimethylenetrinitramine (RDX) based aluminized explosives, polyvinyl acetate (EVA) and copolymer of vinylidene fluoride and perfluoropropylene (F2603) were selected as binders, which are most commonly used in the press-packed explosives. Herein, the binding energies of wax with the components of RDX-based aluminized explosives containing EVA and F2603 were predicted. Then, the migration models of wax in EVA and F2603 were constructed respectively, and the migration rate of wax in two binders was also calculated. Finally, experimental verification was carried out for wax migration in the two aluminized explosives. The results show that the binding energies of wax with other components of RDX-based composite explosive are all positive, which indicates that the physical compatibility of RDX-based aluminized explosives containing EVA and F2603 is excellent. In addition, wax interacts with the other components of RDX-based explosives mainly via Van der Waals force. However, the binding strength of wax with RDX crystals and binders decreases with the increase of temperature. The type of binders has a great influence on the migration rate of wax, and the oily exudation rate of wax in F2603 is about 4 times than that in EVA both at 298 K and 344 K. Meanwhile, the polymer configuration greatly changes the migration rate of wax. The calculated results are in good agreement with the experimental results.
期刊介绍:
The Journal of Theoretical and Computational Chemistry (JTCC) is an international interdisciplinary journal aimed at providing comprehensive coverage on the latest developments and applications of research in the ever-expanding field of theoretical and computational chemistry.
JTCC publishes regular articles and reviews on new methodology, software, web server and database developments. The applications of existing theoretical and computational methods which produce significant new insights into important problems are also welcomed. Papers reporting joint computational and experimental investigations are encouraged. The journal will not consider manuscripts reporting straightforward calculations of the properties of molecules with existing software packages without addressing a significant scientific problem.
Areas covered by the journal include molecular dynamics, computer-aided molecular design, modeling effects of mutation on stability and dynamics of macromolecules, quantum mechanics, statistical mechanics and other related topics.