Application of the Peng–Robinson Equation of State to Energetic Materials RDX and TNT: Pure Components, Liquid Mixtures, and Solid Mixtures

Myint, Philip C.; McClelland, M A; Nichols, Albert L.

doi:10.1021/acs.iecr.5b04808

Cited by 22 publications

(23 citation statements)

References 52 publications

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“…Peng-Robinson thermodynamic fluid package, which is recommended for offshore processing facilities, is applied during the simulation since it solves any single, two-phase or three-phase system with high degree of efficiency and reliability. 20 Lee Kesler enthalpy is selected in a combined property package employing the appropriate equation of state for vapour-liquid equilibrium calculations as well as Lee Kesler equation for the calculation of enthalpies and entropies. 21 The HYSYS model is used to determine the amount of gas flowrate diverted to the flare.…”

Section: Defining Design Casementioning

confidence: 99%

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Flared Gas Emission Control from an Oil Production Platform

Murad¹,

Nasir²,

Law³

et al. 2019

JPS

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In Samarang oil platform of Repsol (Talisman) Malaysia Limited, there is a need to increase its current oil production that would result in an increase of the associated/excess gas from 21 mmscfd to 31 mmscfd. The current low-pressure gas system on the platform is designed to accommodate up to 21 mmscfd of gas. The excess produced gas of 10 mmscfd, if not re-injected back into the reservoir, shall need to be flared on a daily basis in order to maximise the oil production rate. This gas flaring expends large amounts of energy and causes environmental degradation and potential health risk. There are four practical cases being considered in this unprecedented effort to control the flared gas and its resulting emissions from the industrially practical standpoint. Three cases use the existing compressor and varying compressor suction pressure between 5 barg and 6 barg with total compressors power is limited up to 2280 kW. The flared gas emission for these cases ranges from 7 mmscfd to 1 mmscfd, which is lower than the expected flowrate of 10 mmscfd. In the case where a new compressor is installed, a zero flared rate is achieved.

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Section: Defining Design Casementioning

confidence: 99%

“…From the result of valve sizing calculation shown in Table 11, the opening valve for both feed pressure is considered good. 20 Figure 13: Suction pressure at first stage of compressor against flowrate of LP gas compressor (Case 4).…”

Section: Case 4: Manipulation Of Discharge Pressure Of Lp Compressor mentioning

confidence: 99%

Flared Gas Emission Control from an Oil Production Platform

Murad¹,

Nasir²,

Law³

et al. 2019

JPS

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“…Preand post-ignition behavior for PBXN-109 was distinguished on [17]. Philip [18,19] has used equation of state (EOS) of RDX-TNT, HMX-RDX for the solid-liquid mixture to calculate different measurements of temperature, pressure, density and capacity of component mixtures. Numerical simulations are progressively being employed as a means to study thermal stability of mixtures.…”

Section: Introductionmentioning

confidence: 99%

“…Using the equation (1) and (2) to calculate density 1 and heat Q of explosive mixture. By adapting the procedures described in [18], the author has applied the Peng-Robinson equation of state to prove a good representation of experimental volumetric, thermal and phase behavior data, either pure components or multicomponent mixtures. Following Ref.…”

Section: Introductionmentioning

confidence: 99%

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Thermal Stability of Explosive Mixture with Additives at Different Ambient Temperatures

Nassim

Zhang

2017

Propellants Explo Pyrotec

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Thermal stability of explosive mixture containing solid‐liquid phase of trinitrohexahydrotriazine (RDX), isopropyl nitrate (IPN, 2‐propyl nitrate) and aluminum powder (Al) with addition of different rates of 5 %, 10 %, 15 % and 20 % of sulfuric acid H2SO4 to the (RDX/IPN/Al) mixture was measured based on numerical simulation. Kissinger, equation of state (EOS) method and Maxwell approximation were used to compute the physic‐chemical characteristics of the mixture. We add an amount of acid to present a new explosive component. To obtain the ignition temperature, Cookoff model of cylindrical test is performed. The heating process of mixture at different ambient temperatures was progressed, and the ignition temperature was found that it depends on both acid rate added and different ambient temperatures applied and focused by SADT analysis. Temperature distributions over time, different ambient temperatures effect on ignition delay time, ignition position are carried out.

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Predicted Melt Curve and Liquid Shear Viscosity of RDX up to 30 GPa

Kroonblawd

Springer

2022

Propellants Explo Pyrotec

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Recent grain‐scale simulations of HMX and TATB have shown that predictions for hot spot formation in high explosives are particularly sensitive to accurate determinations of the pressure‐dependent melt curve and the shear viscosity of the liquid phase. These physics terms are poorly constrained beyond ambient pressure for the explosive RDX. We adopt an all‐atom modeling approach using molecular dynamics (MD) simulations to predict the melt curve of RDX near to detonation conditions (30 GPa) and determine the shear viscosity of the liquid as a function of temperature and pressure above the melt curve. Phase‐coexistence simulations were used to determine the melt curve, which is predicted to vary by almost 1100 K as the pressure increases from 0 GPa to 30 GPa. Equilibrium MD simulations and the Green‐Kubo formalism were used to obtain the pressure‐temperature‐dependent shear viscosity. The shear viscosity of RDX is predicted to be of similar magnitude to the viscosity of TATB at low GPa‐range pressures, and to be roughly an order of magnitude lower than the viscosity of HMX. The temperature dependence of the shear viscosity is Arrhenius at a given pressure, and the exponential pre‐factor and activation term exhibit a strong, yet complicated, pressure dependence. An empirical pressure‐temperature dependent function for RDX shear viscosity is developed that simultaneously captures a wide range of MD predictions while taking an analytic form that extrapolates smoothly beyond the fitted regime. The relative strength of the pressure and temperature dependencies of these two physics terms is found to be of similar magnitude for RDX, HMX, and TATB, which motivates incorporating these results in future RDX grain‐scale modeling.

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Application of the Peng–Robinson Equation of State to Energetic Materials RDX and TNT: Pure Components, Liquid Mixtures, and Solid Mixtures

Cited by 22 publications

References 52 publications

Flared Gas Emission Control from an Oil Production Platform

Flared Gas Emission Control from an Oil Production Platform

Thermal Stability of Explosive Mixture with Additives at Different Ambient Temperatures

Predicted Melt Curve and Liquid Shear Viscosity of RDX up to 30 GPa

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