• 文献检索
  • 文档翻译
  • 深度研究
  • 学术资讯
  • Suppr Zotero 插件Zotero 插件
  • 邀请有礼
  • 套餐&价格
  • 历史记录
应用&插件
Suppr Zotero 插件Zotero 插件浏览器插件Mac 客户端Windows 客户端微信小程序
定价
高级版会员购买积分包购买API积分包
服务
文献检索文档翻译深度研究API 文档MCP 服务
关于我们
关于 Suppr公司介绍联系我们用户协议隐私条款
关注我们

Suppr 超能文献

核心技术专利:CN118964589B侵权必究
粤ICP备2023148730 号-1Suppr @ 2026

文献检索

告别复杂PubMed语法,用中文像聊天一样搜索,搜遍4000万医学文献。AI智能推荐,让科研检索更轻松。

立即免费搜索

文件翻译

保留排版,准确专业,支持PDF/Word/PPT等文件格式,支持 12+语言互译。

免费翻译文档

深度研究

AI帮你快速写综述,25分钟生成高质量综述,智能提取关键信息,辅助科研写作。

立即免费体验

用于预测高能材料性能和热力学参数的计算机模拟

Computer simulation for prediction of performance and thermodynamic parameters of high energy materials.

作者信息

Muthurajan H, Sivabalan R, Talawar M B, Asthana S N

机构信息

Armament Research and Development Establishment, Pashan, Pune 48 021, India.

出版信息

J Hazard Mater. 2004 Aug 9;112(1-2):17-33. doi: 10.1016/j.jhazmat.2004.04.012.

DOI:10.1016/j.jhazmat.2004.04.012
PMID:15225927
Abstract

A new code viz., Linear Output Thermodynamic User-friendly Software for Energetic Systems (LOTUSES) developed during this work predicts the theoretical performance parameters such as density, detonation factor, velocity of detonation, detonation pressure and thermodynamic properties such as heat of detonation, heat of explosion, volume of explosion gaseous products. The same code also assists in the prediction of possible explosive decomposition products after explosion and power index. The developed code has been validated by calculating the parameters of standard explosives such as TNT, PETN, RDX, and HMX. Theoretically predicated parameters are accurate to the order of +/-5% deviation. To the best of our knowledge, no such code is reported in literature which can predict a wide range of characteristics of known/unknown explosives with minimum input parameters. The code can be used to obtain thermochemical and performance parameters of high energy materials (HEMs) with reasonable accuracy. The code has been developed in Visual Basic having enhanced windows environment, and thereby advantages over the conventional codes, written in Fortran. The theoretically predicted HEMs performance can be directly printed as well as stored in text (.txt) or HTML (.htm) or Microsoft Word (.doc) or Adobe Acrobat (.pdf) format in the hard disk. The output can also be copied into the Random Access Memory as clipboard text which can be imported/pasted in other software as in the case of other codes.

摘要

在这项工作中开发的一种新代码,即用于能量系统的线性输出热力学用户友好软件(LOTUSES),可预测理论性能参数,如密度、爆轰因子、爆速、爆轰压力以及热力学性质,如爆轰热、爆炸热、爆炸气态产物的体积。该代码还有助于预测爆炸后可能的爆炸分解产物和功率指数。通过计算TNT、PETN、RDX和HMX等标准炸药的参数,对开发的代码进行了验证。理论预测的参数偏差精度达到±5%左右。据我们所知,文献中没有报道过这样一种代码,它能够以最少的输入参数预测已知/未知炸药的广泛特性。该代码可用于以合理的精度获得高能材料(HEM)的热化学和性能参数。该代码是用具有增强窗口环境的Visual Basic开发的,因此相对于用Fortran编写的传统代码具有优势。理论预测的高能材料性能可以直接打印出来,也可以以文本(.txt)、HTML(.htm)、Microsoft Word(.doc)或Adobe Acrobat(.pdf)格式存储在硬盘中。输出还可以作为剪贴板文本复制到随机存取存储器中,如同其他代码一样,可以在其他软件中导入/粘贴。

相似文献

1
Computer simulation for prediction of performance and thermodynamic parameters of high energy materials.用于预测高能材料性能和热力学参数的计算机模拟
J Hazard Mater. 2004 Aug 9;112(1-2):17-33. doi: 10.1016/j.jhazmat.2004.04.012.
2
Prediction of heat of formation and related parameters of high energy materials.高能材料生成热及相关参数的预测
J Hazard Mater. 2006 May 20;133(1-3):30-45. doi: 10.1016/j.jhazmat.2005.10.009. Epub 2005 Nov 18.
3
A new computer code to evaluate detonation performance of high explosives and their thermochemical properties, part I.一种新的计算机代码,用于评估高能炸药的爆轰性能及其热化学性质,第一部分。
J Hazard Mater. 2009 Dec 30;172(2-3):1218-28. doi: 10.1016/j.jhazmat.2009.07.128. Epub 2009 Aug 5.
4
Computer code to predict the heat of explosion of high energy materials.预测高能材料爆炸热的计算机代码。
J Hazard Mater. 2009 Jan 30;161(2-3):714-7. doi: 10.1016/j.jhazmat.2008.04.032. Epub 2008 Apr 16.
5
Computer code for the optimization of performance parameters of mixed explosive formulations.用于优化混合炸药配方性能参数的计算机代码。
J Hazard Mater. 2006 Aug 25;136(3):475-81. doi: 10.1016/j.jhazmat.2006.01.066. Epub 2006 Mar 13.
6
Determination of performance of non-ideal aluminized explosives.非理想铝热剂炸药性能的测定
J Hazard Mater. 2006 Sep 1;137(1):83-7. doi: 10.1016/j.jhazmat.2006.02.048. Epub 2006 Apr 18.
7
Prediction of detonation performance of CHNO and CHNOAl explosives through molecular structure.通过分子结构预测CHNO和CHNOAl炸药的爆轰性能。
J Hazard Mater. 2009 Jul 30;166(2-3):1296-301. doi: 10.1016/j.jhazmat.2008.12.040. Epub 2008 Dec 11.
8
Numerical prediction of steady-state detonation properties of condensed-phase explosives.凝聚相炸药定常爆轰特性的数值预测。
J Hazard Mater. 2009 Dec 30;172(2-3):1646-51. doi: 10.1016/j.jhazmat.2009.08.038. Epub 2009 Aug 18.
9
Simple correlation for predicting detonation velocity of ideal and non-ideal explosives.预测理想和非理想炸药爆速的简单相关性。
J Hazard Mater. 2009 Jul 30;166(2-3):762-9. doi: 10.1016/j.jhazmat.2008.11.117. Epub 2008 Dec 6.
10
A simple approach for determining detonation velocity of high explosive at any loading density.一种用于确定任意装药密度下高爆炸药爆速的简单方法。
J Hazard Mater. 2005 May 20;121(1-3):31-6. doi: 10.1016/j.jhazmat.2005.01.028.

引用本文的文献

1
Synergizing Experimentation and Computation: Predicting Energetic Potential in New Cyclo-Peroxide Compounds.协同实验与计算:预测新型环过氧化物化合物的能量潜力
ACS Omega. 2024 Oct 11;9(42):42746-42756. doi: 10.1021/acsomega.4c03672. eCollection 2024 Oct 22.
2
Selective Detection of Picric Acid by Benzodiazepine Containing Enaminone Core as Receptor and Its Application to Real Water Sample Analysis.以含苯二氮䓬的烯胺酮为受体对苦味酸进行选择性检测及其在实际水样分析中的应用。
J Fluoresc. 2025 Jul;35(7):5769-5780. doi: 10.1007/s10895-024-03925-0. Epub 2024 Oct 1.
3
Shock response of condensed-phase RDX: molecular dynamics simulations in conjunction with the MSST method.
凝聚相黑索今的冲击响应:结合MSST方法的分子动力学模拟
RSC Adv. 2018 May 11;8(31):17312-17320. doi: 10.1039/c8ra00409a. eCollection 2018 May 9.
4
Design of new energetic materials based on derivatives of 1,3,5-trinitrobenzenes: A theoretical and computational prediction of detonation properties, blast impulse and combustion parameters.基于1,3,5-三硝基苯衍生物的新型含能材料设计:爆轰性能、爆炸冲量及燃烧参数的理论与计算预测
Heliyon. 2020 Jan 8;6(1):e03163. doi: 10.1016/j.heliyon.2020.e03163. eCollection 2020 Jan.
5
Molecular dynamics calculation on structures, stabilities, mechanical properties, and energy density of CL-20/FOX-7 cocrystal explosives.六硝基六氮杂异伍兹烷/1,1-二氨基-2,2-二硝基乙烯共晶炸药的结构、稳定性、力学性能及能量密度的分子动力学计算
J Mol Model. 2017 Nov 30;23(12):362. doi: 10.1007/s00894-017-3533-3.
6
Theoretical insights into the effects of molar ratios on stabilities, mechanical properties, and detonation performance of CL-20/HMX cocrystal explosives by molecular dynamics simulation.通过分子动力学模拟对摩尔比对CL-20/HMX共晶炸药的稳定性、力学性能和爆轰性能影响的理论见解。
J Mol Model. 2017 Jan;23(1):30. doi: 10.1007/s00894-016-3193-8. Epub 2017 Jan 14.
7
Perylene Diimide Based Fluorescent Dyes for Selective Sensing of Nitroaromatic Compounds: Selective Sensing in Aqueous Medium Across Wide pH Range.用于选择性检测硝基芳香族化合物的苝二亚胺基荧光染料:在宽pH范围内的水性介质中的选择性检测
J Fluoresc. 2016 Mar;26(2):395-401. doi: 10.1007/s10895-015-1725-8. Epub 2015 Nov 20.