Pressure effects on thermal decomposition reactions: a thermo-kinetic investigation

Vargeese, Anuj A.

doi:10.1039/c5ra11226e

Cited by 13 publications

(21 citation statements)

References 28 publications

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“…Ledru et al [8] presented procedures used to calibrate the PDSC system in detail, to obtain the corrected temperature at any conditions. Vargeese [9] studied the decomposition of ammonium perchlorate (AP) at three different pres-sures (0.1, 2, 4 MPa), and observed some shifts in temperature and a-T kinetic curves as compared with those at 0.1 MPa. Venkatesh et al [10] investigated two isoconversional methods (Friedman method and Flynn-Wall-Ozawa method) to study three kinds of imidazole, where values of activation energy had variations.…”

Section: Introductionmentioning

confidence: 99%

Thermal Decomposition Kinetics of Nitroguanidine Propellant under Different Pressures

Zhang

Liu

2018

Propellants Explo Pyrotec

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Thermal decomposition of a nitroguanidine‐based propellant at different pressures was investigated under non‐isothermal conditions by high‐pressure differential scanning calorimetry (PDSC). It was found that only one visible exothermic peak appeared in DSC curves at the pressure. With the increase of the environment pressure, the peak temperature decreased, and the decomposition heat increased. Application of elevated pressures changed the mechanism of thermal decomposition of the nitroguanidine propellant as compared with that at 0.1 MPa. The reaction followed the sigmoidal model, where n=0.97 (0.1 MPa), or n=0.96 (high pressures). The mechanism of the process at 0.1 MPa can be classified as chemical reaction, and the kinetic equation can be dα/dt=1027.531-α2e-3.03×104/T ; whereas at high pressures, it shifts to nucleation and growth, with dα/dt=1023.99(1-α)e-2.59×104/T at 2 MPa and dα/dt=1022.39(1-α)e-2.42×104/T at 4 MPa. Pressure increase lowered the decrease in critical temperature, and lowered entropy of activation (ΔS≠), enthalpy of activation (ΔH≠), free energy of activation (ΔG≠), as well as the thermal safety of the nitroguanidine propellant.

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Section: Introductionmentioning

confidence: 99%

Thermal Decomposition Kinetics of Nitroguanidine Propellant under Different Pressures

Zhang

Liu

2018

Propellants Explo Pyrotec

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“…This effect is attributed to a possible alteration of the decomposition temperature of the Fe(CO) 5 at the pressure employed under flow conditions. 35 , 36 …”

Section: Resultsmentioning

confidence: 99%

Rapid Millifluidic Synthesis of Stable High Magnetic Moment Fe_xC_y Nanoparticles for Hyperthermia

Loizou

Mourdikoudis

Σεργίδης

et al. 2020

ACS Appl. Mater. Interfaces

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A millifluidic reactor with a 0.76 mm internal diameter was utilized for the synthesis of monodisperse, high magnetic moment, iron carbide (Fe x C y ) nanoparticles by thermal decomposition of iron pentacarbonyl (Fe(CO) 5 ) in 1-octadecene in the presence of oleylamine at 22 min nominal residence time. The effect of reaction conditions (temperature and pressure) on the size, morphology, crystal structure, and magnetic properties of the nanoparticles was investigated. The system developed facilitated the thermal decomposition of precursor at reaction conditions (up to 265 °C and 4 bar) that cannot be easily achieved in conventional batch reactors. The degree of carbidization was enhanced by operating at elevated temperature and pressure. The nanoparticles synthesized in the flow reactor had size 9–18 nm and demonstrated high saturation magnetization (up to 164 emu/g Fe ). They further showed good stability against oxidation after 2 months of exposure in air, retaining good saturation magnetization values with a change of no more than 10% of the initial value. The heating ability of the nanoparticles in an alternating magnetic field was comparable with other ferrites reported in the literature, having intrinsic loss power values up to 1.52 nHm 2 kg –1 .

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“…We then used the experimental data from ultrahigh-performance liquid chromatography–high-resolution mass spectrometry (UPLC-HRMS), TG-FTIR, thermogravimetry (TG), and differential scanning calorimetry (DSC) to validate the computational results. Earlier, using similar methodologies, we have carried out kinetic ,, and computational studies , to understand the decomposition mechanism in HEMs and mass spectrometry to detect the intermediates …”

Section: Introductionmentioning

confidence: 99%

Decomposition Mechanism of Hexanitrohexaazaisowurtzitane (CL-20) by Coupled Computational and Experimental Study

2019

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A novel degradation pathway of 2,4,6,8,10,12-hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane (CL-20) was identified using computational and experimental methods. Density functional theory (DFT) calculations were employed to obtain its unimolecular degradation pathway, and ultrahigh-performance liquid chromatography–high-resolution mass spectrometry, thermogravimetry–Fourier transform infrared spectrometry, thermogravimetry, and differential scanning calorimetric experimental data were used to validate the computationally deduced degradation pathways. Based on the indications from computational and experimental results, the cleavage of the strained fragment from CL-20 was identified instead of NO2 or HONO elimination as in conventional high energy materials. This fragmentation results in the formation of two energetic species, dinitrodihydropyrazine and dinitroformimidamide, which makes CL-20 one of the most powerful energetic materials. This novel degradation pathway of CL-20 will be useful in understanding the decomposition of cage molecules, design of new practical energetic molecules, and development/improvement of thermokinetic codes used for energetic property calculations.

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Pressure effects on thermal decomposition reactions: a thermo-kinetic investigation

Abstract: Simultaneous effect of a CuO nanocatalyst and pressure on the decomposition kinetics of ammonium perchlorate is analysed through high pressure decomposition studies.

Cited by 13 publications

References 28 publications

Thermal Decomposition Kinetics of Nitroguanidine Propellant under Different Pressures

Thermal Decomposition Kinetics of Nitroguanidine Propellant under Different Pressures

Rapid Millifluidic Synthesis of Stable High Magnetic Moment Fe_xC_y Nanoparticles for Hyperthermia

Decomposition Mechanism of Hexanitrohexaazaisowurtzitane (CL-20) by Coupled Computational and Experimental Study

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Pressure effects on thermal decomposition reactions: a thermo-kinetic investigation

Abstract: Simultaneous effect of a CuO nanocatalyst and pressure on the decomposition kinetics of ammonium perchlorate is analysed through high pressure decomposition studies.

Cited by 13 publications

References 28 publications

Thermal Decomposition Kinetics of Nitroguanidine Propellant under Different Pressures

Thermal Decomposition Kinetics of Nitroguanidine Propellant under Different Pressures

Rapid Millifluidic Synthesis of Stable High Magnetic Moment FexCy Nanoparticles for Hyperthermia

Decomposition Mechanism of Hexanitrohexaazaisowurtzitane (CL-20) by Coupled Computational and Experimental Study

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Rapid Millifluidic Synthesis of Stable High Magnetic Moment Fe_xC_y Nanoparticles for Hyperthermia