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首页> 外文期刊>Propellants, Explosives, Pyrotechnics >Study of the Effect of Covolumes in BKW Equation of State on Detonation Properties of CHNO Explosives
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Study of the Effect of Covolumes in BKW Equation of State on Detonation Properties of CHNO Explosives

机译：BKW状态方程中体积对CHNO炸药爆轰特性影响的研究

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摘要

Due to its simplicity, the Becker-Kistiakowsky-Wilson (BKW) equation of state has been used in many thermochemical codes in the calculation of detonation properties. Much work has been done in the calibration of the BKW EOS parameters to achieve agreement with experimental detonation velocities and pressures thus resulting in many different sets of BKW constants (a, (3, k and 8) and covolumes of detonation products, with varying levels of accuracy over broad density limits, i.e. broad pressure limits. The covolumes of the product gases in BKW EOS may be regarded as measures of intermolecular interactions, and their values should affect the predicted detonation properties, particularly at higher explosives densities. This work aims to study the effect of covolumes on calculated values of detonation parameters. Several sets of covolumes available from literature and derived by different methods (matching experimental Hugoniots of individual products, by stochastic optimization, and calculated from van der Waals radii), were studied. In addition, the covolumes of the product gases were also calculated by ab initio methods. The effect of covolumes is studied comparing detonation properties calculated using different sets of covolumes, and experimental data for a series of standard CHNO explosives. It was found that it is possible to reproduce experimental detonation velocities and pressures within reasonable accuracy (root mean square error of less than 5% for all tested sets) using different set of covolumes, and simultaneously optimizing constants in BKW EOS. However, different values of covolumes strongly affect the composition of detonation products at the Chapman^ Jouguet state. It particularly applies to oxygen-deficient explosives and at higher densities, where formic acid appears to be an important detonation product.
机译：由于其简单性，贝克勒-基斯提亚科夫斯基-威尔森（BKW）状态方程已在许多热化学法中用于计算爆轰性质。在校准BKW EOS参数方面已经做了大量工作，以与实验爆震速度和压力达成一致，因此产生了许多不同的BKW常数集（a，（3，k和8）和不同体积的爆轰产物）在宽广的密度极限（即宽广的压力极限）下的精确度可以被认为是BKW EOS中产物气体的总体积可以作为分子间相互作用的量度，并且它们的值应该影响预测的爆轰性能，特别是在较高炸药密度下。研究了共体积对爆轰参数计算值的影响，研究了多组可从文献中获得并通过不同方法推导的共体积（匹配单个产品的实验Hugoniots，通过随机优化，并通过范德华半径计算）。 ，从头计算方法也计算出了产物气体的体积。对比了使用不同体积体积计算的爆轰性能以及一系列标准CHNO炸药的实验数据。发现可以使用不同的体积体积，以合理的精度（所有测试组的均方根误差均小于5％）重现实验爆震速度和压力，同时优化BKW EOS中的常数。然而，在查普曼·乔格特状态下，不同的体积值强烈影响着爆炸产物的组成。它特别适用于缺氧炸药和高密度炸药，其中甲酸似乎是重要的爆炸产物。

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