共查询到20条相似文献，搜索用时 15 毫秒
1.
Muhamed Suceska Hay Yee Serene Chan Barbara Stimac Mario Dobrilovic 《Propellants, Explosives, Pyrotechnics》2023,48(1):e202100278
A hundred years ago (in 1921) Becker proposed an equation of state in which the repulsive term in van der Waals equation of state was replaced by an exponential function. Twenty years later, Kistiakowsky and Wilson modified Becker's equation and used it to calculate the detonation properties of nitroglycerine and mercury fulminate. The resulting equation of state, commonly called the BKW equation of state, is attributed to Becker, Kistiakowsky, and Wilson. Although it was not founded on a strict theoretical background, the BKW equation of state has been widely adopted in thermochemical codes to predict the detonation properties of explosives. Throughout the years, the accuracy of BKW has been significantly improved through proper calibration of the BKW constants and covolumes. This paper presents the concept of temperature-dependent covolumes of polar molecules (H2O and NH3) as a way to improve the accuracy of prediction of detonation properties of explosives, especially those explosives producing larger amounts of H2O and NH3. It was demonstrated that temperature-dependent covolumes describe more accurately experimental shock Hugoniots of polar molecules than constant covolumes, and the accuracy of prediction of detonation properties of HNO types of explosives is greatly improved. 相似文献
2.
《中国化学工程学报》2019,27(5)
A four-parameter, Ghoderao-Dalvi-Narayan 2 cubic equation of state (GDN2 CEOS), is presented which incorporates the following:1. The experimental value of the critical compressibility factor has been used as a fixed input parameter for calculations; 2. All the parameters (a, b, c, d) of CEOS are temperature dependent functions in the subcritical region and are temperature independent functions in the supercritical region and; 3. A new α function is introduced with two compound specific parameters which are estimated by matching saturated vapor pressure at two fixed temperature points Tr=0.5, 0.7. Our formalism enables us to cast three of the four parameters of the CEOS as a function of the remaining parameter. The proposed CEOS is used to predict properties of 334 pure compounds, including saturated vapor pressure and liquid density, compressed liquid density, heat capacities at the constant pressure and volume, enthalpy of vaporization, sound velocity. To calculate thermodynamic properties of a pure compound, the present CEOS require the critical temperature, the critical pressure, the Pitzer's acentric factor, the critical compressibility factor, and two parameters of the alpha function. The saturated liquid density predictions for pure fluids are very accurate when compared with GDN1 (Ghoderao-Dalvi-Narayan 1), MPR (Modified Peng-Robinson), and PT (Patel-Teja) equations of state. Unlike MPR EOS, the proposed temperature dependent covolume parameter b in the present work satisfies all the constraints mentioned in the literature to avoid thermodynamic inconsistencies at the extreme temperature and pressure. Using van der Waals one-fluid mixing rule, the present CEOS is further used to predict bubble pressure and the vapor mole fraction of binary mixtures. 相似文献
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A four-parameter, Ghoderao–Dalvi–Narayan 2 cubic equation of state(GDN2 CEOS), is presented which incorporates the following: 1. The experimental value of the critical compressibility factor has been used as a fixed input parameter for calculations; 2. All the parameters(a, b, c, d) of CEOS are temperature dependent functions in the subcritical region and are temperature independent functions in the supercritical region and; 3. A new α function is introduced with two compound specific parameters which are estimated by matching saturated vapor pressure at two fixed temperature points T_r= 0.5, 0.7. Our formalism enables us to cast three of the four parameters of the CEOS as a function of the remaining parameter. The proposed CEOS is used to predict properties of 334 pure compounds, including saturated vapor pressure and liquid density, compressed liquid density, heat capacities at the constant pressure and volume, enthalpy of vaporization, sound velocity. To calculate thermodynamic properties of a pure compound, the present CEOS require the critical temperature, the critical pressure, the Pitzer's acentric factor, the critical compressibility factor, and two parameters of the alpha function. The saturated liquid density predictions for pure fluids are very accurate when compared with GDN1(Ghoderao–Dalvi–Narayan 1),MPR(Modified Peng–Robinson), and PT(Patel–Teja) equations of state. Unlike MPR EOS, the proposed temperature dependent covolume parameter b in the present work satisfies all the constraints mentioned in the literature to avoid thermodynamic inconsistencies at the extreme temperature and pressure. Using van der Waals one-fluid mixing rule, the present CEOS is further used to predict bubble pressure and the vapor mole fraction of binary mixtures. 相似文献
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为了降低爆轰产物及爆轰参数的求解难度,通过对质量守恒方程的基本可行解进行线性组合,得到了爆轰产物的平衡组成,并在此基础上进一步获得了爆轰参数。其主要实现方法为:由最小自由能原理对基本可行解进行筛选,然后根据最大放热原则确定初始解,并在最小自由能原则的引导下,由初始解和基本可行解的线性组合获得爆轰产物的平衡组成,以上操作步骤均由自编程序完成。应用支持向量机(SVM)线性模型对BKW状态方程参数进行了调整,并详细介绍了其主要步骤。使用此方法预测了PETN、CL-20和含铝炸药的爆轰产物及爆轰参数,经参数调整后,发现预测结果与实验值吻合良好;通过与单质炸药爆轰实验数据对比,发现调整BKW状态方程参数时,应当尽可能使用爆轰产物中气体含量相近的含能材料对SVM模型进行训练;若预测含铝炸药,应当使用铝氧比接近待测炸药的样品来训练SVM模型。 相似文献
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《Propellants, Explosives, Pyrotechnics》2018,43(6):543-551
The effects of aluminum mass content and particle size in CL‐20‐based aluminized explosives were investigated with a small‐scale confined plate push test. The confinement strength of the detonation products was enhanced to twice that of cylinder tests to accelerate the aluminum particle reaction. An all‐fiber displacement interferometer system for any reflector was used to continuously measure the plate velocity over time. A series of aluminized explosives containing various aluminum particle masses and sizes were tested, as well as explosives containing LiF instead of aluminum. Numerical simulations of explosive detonation and metal plate acceleration were performed, where parameters for the equation of state of the detonation products were calibrated by comparing the results with experiment. The results indicated that most of the aluminum particles (including 200‐nm diameter particles) reacted with the detonation products after the Chapman‐Jouguet point. Moreover, the released energy from the reaction could further accelerate the metal plate and increase the acceleration time, although the initial plate velocity was reduced. The start reaction times of small particles were earlier than that of larger particles. Specifically, 2‐50‐μm aluminum particles start to react when the volume of detonation products expanded to 1.24 times the initial volume, while the 200‐nm particles start to react at 1.07 times the initial volume, with a significantly higher reaction rate. The reaction rates decreased with increasing mass fraction of reacted aluminum and a decrease in pressure. 相似文献
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Monika Thol Stefan Herrig Roland Span Eric W. Lemmon 《American Institute of Chemical Engineers》2021,67(9):e17326
A fundamental equation of state is presented for the calculation of thermodynamic properties of chlorine. It is expressed in terms of the Helmholtz energy with the independent variables temperature and density. Based on the available experimental data from the literature, the equation is valid from the triple point temperature 172.17–440 K with a maximum pressure of 20 MPa. The quality of the equation is evaluated by comparisons with experimental measurements. Since the equation was developed in part for use in mixture models relevant for carbon capture and storage applications, special focus was also given to correct extrapolation behavior. 相似文献
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In our previous paper we extended the Tao and Mason equation of state (TM EOS) to refrigerant fluids, using the speed of sound data. This is a continuation for evaluating TM EOS in predicting PVT properties of heavy n-alkanes. Liquid density of long-chain n-alkane systems from C 9 to C 20 have been calculated using an analytical equation of state based on the statistical-mechanical perturbation theory. The second virial coefficients of these n-alkanes are scarce and there is no accurate potential energy function for their theoretical calculation. In this work the second virial coefficients are calculated using a corresponding state correlation based on surface tension and liquid density at the freezing point. The deviation of calculated densities of these alkanes is within 0.5% from experimental data. The densities of n-alkanes obtained from the TM EOS are compared with those calculated from Ihm-Song-Mason equation of state and the corresponding-states liquid densities (COSTALD). Our results are in favor of the preference of the TM EOS over other two equations of state. 相似文献
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A modified Lee-Kesler equation of state has been proposed to improve the accuracy for the subcooled and saturated liquid regions of normal fluids. It is further extended to polar fluids by the addition of a fourth parameter X. The extended equation has been found to be reliable over a wide vapor and liquid regions for polar fluids and it is easy for computer use. Fourteen kinds of normal fluids and twelve kinds of polar fluids have been tested. The total average absolute deviations for the normal fluids and polar fluids are 0.79% and 1.68% over the range of Tr = 0.3 to 4 and Pr - 0.01 to 10. 相似文献
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A modified Lee-Kesler equation of state has been proposed to improve the accuracy for the subcooled and saturated liquid regions of normal fluids. It is further extended to polar fluids by the addition of a fourth parameter X. The extended equation has been found to be reliable over a wide vapor and liquid regions for polar fluids and it is easy for computer use. Fourteen kinds of normal fluids and twelve kinds of polar fluids have been tested. The total average absolute deviations for the normal fluids and polar fluids are 0.79% and 1.68% over the range of Tr = 0.3 to 4 and Pr - 0.01 to 10. 相似文献
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Leonard Stiel Ernest Baker Philip Samuels Rodger Cornell David Rydzewski 《Propellants, Explosives, Pyrotechnics》2023,48(1):e202200039
An extended JCZ3 based equation of state for the modelling of high explosive detonation products has been implemented in the JAGUAR computer model. This development includes the parameterization of EXP-6 potentials for individual products species, as well as mixing rules for the combination of species. Non-linear variable metric optimization was used for the species parameterization, as well as for the solution of free energy minimized states. Explosive detonation and products expansion are typically modelled for JWL and JWLB high explosives thermodynamic equation of state development. An analytic c ylinder test model was developed for the comparison to experimental cylinder expansion test data and for the characterization of explosive products expansion and work output. Examples and comparisons to data are presented. Historically, streak photography was used for cylinder testing, whereas photon-doppler velocimetry (PDV) is now standard. This has resulted in some changes in cylinder testing data reduction. A JAGUAR MSIAC web-based application is currently under development for use by the MSIAC member nations. 相似文献
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利用 Ｐ Ｒ、 Ｓ Ｒ Ｋ、 Ｈ Ｋ、 Ｐ Ｔ 状态方程（ Ｅ Ｏ Ｓ）计算 Ｃ Ｏ２ 、 Ｃ４ Ｈ９ Ｏ Ｈ、 Ｈ２ Ｏ 纯组份的饱和性质及 Ｃ Ｏ２ 的压缩因子。结果表明, Ｐ Ｔ 方程对水、二氧化碳的蒸汽压及密度预测较佳。对丁醇的密度推算, Ｐ Ｔ 方程最佳, Ｐ Ｔ 方程对丁醇的饱和蒸汽压预测一般。考察了 Ｐ Ｔ 方程参数的影响,指出应根据相平衡的温度范围选取相应的 Ｐ Ｔ 方程参数。对 Ｃ Ｏ２ Ｃ４ Ｈ９ Ｏ Ｈ Ｈ２ Ｏ 体系相平衡的研究宜选用 Ｐ Ｔ 方程。 相似文献
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M-H-EOS的理论基础 总被引：1，自引：0，他引：1
根据virialEOS的推导方式 ,从具有分子体积的准理想气体模型出发 ,利用巨正则分布和势能函数 ,从理论上推导了M -H -EOS ,并探讨了M -H -EOS的理论基础。结果表明 ,M -H -EOS与virialEOS具有相同的理论基础 ,只是在考虑实际气体对理想气体在分子体积和分子间相互作用的偏差上做了不同的近似。M -H -EOS为了计算简便 ,在实验的基础上对分子间相互作用做了合理的近似 ,从而避免了高阶virial系数求解困难的问题 ,因此在实用中取得成功。了解M -H -EOS的理论基础 ,对进一步发展和改进M -H -EOS的应用领域和计算准确度具有一定的意义 相似文献
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采用五种不同的方法计算了四种不同二元混合工质的临界温度和临界压力,研究对比不同方法在推算二元混合临界性质时的精度。其中Peng-Robinson（PR）方程和Soave-Redlich-Kwong（SRK）方程,两种状态方程结合Heidemann等提出的临界点判据计算得到的临界参数与实验结果吻合较好。两种经验公式,改进的Chueh-Prausnitz（MCP）方法和Redlich-Kister方法,以及径向基函数神经网络（RBFNN）在计算混合工质的临界性质时也都有着较高的计算精度。对于临界温度的计算,PR方程、SRK方程、MCP方程、Redlich-Kister方程以及径向基函数神经网络计算结果的绝对平均偏差的最大值分别为1.82%、1.73%、0.95%、0.17%和0.20%。对于临界压力的计算,通过PR方程、SRK方程、MCP方程、Redlich-Kister方程以及径向基函数神经网络计算的绝对平均偏差的最大值分别为6.07%、5.04%、3.49%、1.90%以及0.67%。 相似文献
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Ali Sadat‐Shojaei Mohammad Reza Khorsand Movaghar Seyyed Ali Mousavi Dehghani 《加拿大化工杂志》2015,93(8):1483-1489
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正戊烯是重要的精细化工产品中间体和原材料,同时也是燃料添加剂,具有广泛的工业应用。正戊烯的生产和应用过程中常常涉及萃取、精馏、汽提等化工过程,而这些化工流程的设计、模拟、优化等都依赖于准确可靠的热物性数据。通过文献调研发现,目前还没有正戊烯的专用状态方程发表,因此利用文献中公开发表的实验数据开发了正戊烯的专用状态方程。该方程以Helmholtz自由能为显式、以密度和温度为自变量,适用范围为：温度从三相点到500 K,压力最高达到100 MPa,密度不超过15 mol×dm−3。方程计算液相区密度的不确定度为0.2%,计算临界区及气相密度的不确定度为0.5%;计算饱和蒸气压的不确定度为0.3%,计算饱和液相密度的不确定度为0.2%,计算与能量相关的物性（例如Csat、比热容、音速、焓等）的不确定度为1%以内。所开发的正戊烯专用状态方程不仅能够准确地复现实验数据,而且具有良好的外推性。 相似文献
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In our previous paper we extended the Tao and Mason equation of state (TM EOS) to refrigerant fluids, using the speed of sound data. This is a continuation for evaluating TM EOS in predicting PVT prope... 相似文献