Thermal Decomposition Kinetics Research Articles

Thermal decomposition kinetics and aging lifetime prediction of waste rubbers in porous elastic road surface

The waste rubbers used as partly aggregates in porous elastic road surface (PERS) mixture are more easily to be attacked by the heat and oxygen during the service process. This study aims to investigate the thermal decomposition kinetics of waste rubbers in PERS and propose a method to predict the lifetime of waste rubbers. Firstly, the PERS mixtures containing unaged and aged waste rubbers were prepared with void ratio of 25 % and rubber particle content of 25 %. Then, from the water residual results, it can be seen that the residual stability and freezing-thawing splitting strength ratio of PERS mixtures containing waste rubbers being aged for 7 days significantly decreased to 65 % and 59 % compared with that of the unaged PERS mixture, which cannot be used as pavement. The thermal decomposition kinetics of waste rubbers fixed with the first-order reaction, which was related with the road performance of PERS mixtures by the mass loss rate of 17 % after being aged for 7 days. Based on that, the lifetime prediction equation of waste rubbers was established. It is expected that this work provides a new strategy for predicting the lifetime of waster rubbers in PERS pavement during the service process.

Effect of Cubic Crystal Morphology on Thermal Characteristics and Mechanical Sensitivity of PYX

To investigate the influence of the cubic crystal morphology on the thermal properties and sensitivity of 2,6-bis(picrylamino)-3,5-dinitropyridine (PYX), cubic PYX (CPYX) crystals were prepared using the antisolvent method. Scanning electron microscopy (SEM), laser particle size analysis, X-ray diffraction (XRD) and Fourier transform infrared spectroscopy (FT-IR) were used to characterize the morphology, particle size and structure of the prepared products. The thermal behavior, thermal decomposition kinetics, thermal safety parameters and thermal decomposition mechanism of CPYX were investigated by differential scanning calorimetry–thermogravimetry–mass spectrometry–Fourier transform infrared spectrometry (DSC-TG-MS-FT-IR) and in situ FT-IR experiments. Meanwhile, the mechanical sensitivity of CPYX was determined by means of the explosion probability method. The results showed that the product had a smooth cubic morphology and small crystal aspect ratio with an average particle size (d50) of 10.65 μm, but it had no distinct differences from the crystal structure of raw PYX (RPYX). The thermal decomposition peak temperature, the self-accelerating decomposition temperature and the critical temperature of the thermal explosion of CPYX increased by 7.2 °C, 6.1 °C and 10.4 °C, respectively, compared to RPYX. Similarly, the apparent activation energy increased by 15%. Besides these, the impact sensitivity and friction sensitivity of CPYX decreased by 36% and 20%, respectively, compared to RPYX. The decomposition process of CPYX contains two stages. The first stage involves the breakage of N-H bonds and -NO2 groups with the release of CO2, N2O, NO, HCN and H2O, followed by the thermal decomposition of the resulting intermediate and the release of CO2, N2O and HCN in the second stage.

Thermal Decomposition Mechanism of P(DAC-AM) with Serial Cationicity and Intrinsic Viscosity

The thermal decomposition of the thermodynamic, kinetic and mechanisms of copolymer P(DAC-AM) samples with serial cationicity and intrinsic viscosity ([η]), and the control samples of homopolymer PAM and PDAC, were studied and analyzed using TG, DSC, FTIR. The results of the thermal decomposition thermodynamics confirmed that the thermal decomposition processes of the serial P(DAC-AM) samples and the two control samples could be divided into two stages. It was found that the processes of the copolymer P(DAC-AM) samples were not a simple superposition of those of homopolymers, whose monomers had composed the unit structures of the copolymer, but there were interactions between the two suspension groups. The results of thermal decomposition kinetics showed that the apparent activation energy (E) of the thermal decomposition process of all polymer samples had different varying trends in the terms of weight-loss rate (α). The reaction order (n) of the thermal decomposition of P(DAC-AM) in Stage I and II was close to 1, but in the former and the latter it tended to be 2 and 0.5, respectively. Finally, the thermal decomposition mechanism of copolymer P(DAC-AM) samples was discussed. The above research could not only fill in the knowledge vacancy of the thermal decomposition of the thermodynamic, kinetic and mechanisms of P(DAC-AM), but could also lay a foundation for the study of thermal decomposition mechanisms of the other types of polymers, including cationic polymers.

Kinetics of the thermal decomposition of thermally reduced graphene oxide treated with a pulsed high-frequency discharge in hydrogen atmosphere

Thermal stability and the kinetics of thermal decomposition of the thermally reduced graphene oxide (TRGO) treated by a pulsed high-frequency discharge in a hydrogen atmosphere have been studied. The modified Hummers method was used for obtaining the initial graphite oxide from graphite powder. Thermal exfoliation of the graphene oxide powder has been done in vacuum conditions with a heating rate of 5–7 degrees per minute to a temperature of 300 °С. TRGO has been treated by pulsed high-frequency discharge in a hydrogen atmosphere for partial graphene hydrogenation (chemical addition of atomic hydrogen) that leads to structural changes in the carbon planes and formation of C–H sp3 bonds. The thermogravimetry analysis measurements of the mass loss have been carried from room temperature to 1000 °C in a nitrogen atmosphere with a nitrogen flow rate of 20 mL/min and different heating rates: 50, 75 100, 125, 150, and 200 K/min, respectively. Kissinger’s multiple heating rate method has been used to determine the activation energy for decomposing substances. Activation energies Ea1, Ea2, and Ea3 equal 28, 50, and 148 kJ/mol, respectively, have been compared with the energies of the activation of thermal defunctionalization of multiwalled carbon nanotubes (MWCNTs). The activation energy Ea3 = 148 kJ/mol is close to that of the thermal decomposition of anhydride functional groups in MWCNT. The value of Ea2 = 50 kJ/mol indicates the presence of the keto and hydroxy acid’s function groups on TRGO. Activation energy Ea1 = 28 kJ/mol related with all other groups including the lighter C–H bonds that destructed due to dehydrogenation of the TRGO. Obtained experimental results are useful for further proposing the kinetic model of the mechanism of the most probable reaction of TRGO decomposition.

Thermal decomposition characteristics of BHT and its peroxide (BHTOOH).

2,6-Di-tert-butyl-4-methylphenol (BHT) is an excellent antioxidant that is easily oxidized to 2,6-di-tert-butyl-4-hydroperoxyl-4-methyl-2,5-cyclohexadienone (BHTOOH). For the safety of BHT production and usage, it is meaningful to study the thermal stability and decomposition properties of BHT and BHTOOH. In this paper, the thermal decomposition properties of BHT and BHTOOH were compared by the mini closed pressure vessel test (MCPVT) and differential scanning calorimetry (DSC). Their kinetics of thermal decomposition were studied using thermogravimetric analysis (TGA). The thermal decomposition products of BHT and BHTOOH were analyzed by gas chromatography-mass spectrometry (GC-MS). The results show that there was no significant change in temperature pressure when BHT was warmed up under a nitrogen atmosphere, indicating that BHT was stable within 400K. The thermal decomposition reaction of BHTOOH was rapid with an initial reaction temperature of 375.2K. The initial exothermic temperature (Ti) and heat release (QDSC) of DSC were 384.9K and 865.0Jg-1, respectively. The apparent activation energies (Ea) for the thermal decomposition reactions of BHT and BHTOOH calculated by the Kissinger method were 151.8kJmol-1 and 66.07kJmol-1, respectively. The main decomposition products of BHT were isobutene and 2-tert-butyl-4-methylphenol. The thermal decomposition products of BHTOOH included BHT, 2,6-di-tert-butyl-4-ethylphenol, 3,5-di-tert-butyl-4-hydroxybenzaldehyde, 4,4'-(1,2-ethanediyl) bis [2,6-bis (1,1-dimethylethyl) phenol, etc. Based on the thermal decomposition behavior and products, the reaction pathway has been described. These results indicate that BHT is a potential thermal hazard during production, storage and application. For the safety of the chemical industry, the oxidation of BHT should be avoided.

Qualifying the cathode aging process for storage life prediction for primary AgO-Zn batteries

AgO-Zn batteries are widely recognized for their high energy density, specific capacity, and safety features. Especially the AgO-Zn reserve battery, which possesses good storage stability to better adapt to the application requirements of long-term storage, is considered an ideal candidate for applications in military, aerospace, and other fields. However, since there are only a few studies on the decomposition kinetic of the cathode for the AgO-Zn reserve battery, further in-depth research is needed on the aging mechanism. Herein, we conduct a comprehensive investigation of the aging behavior of the cathode in commercial AgO-Zn reserve batteries. The physicochemical properties of the cathodes with different storage years are characterized by multiple methods, including phase composition, surface morphology, and thermal behaviors. The evolution of structure and performance for the cathodes with storage time and their impact on the electrical performance of AgO-Zn batteries are studied. In addition, a multiple heating rate method is performed to determine the thermal decomposition kinetics of the cathode. Based on the obtained kinetic parameters, a model for the decomposition of the AgO in the cathode is developed, enabling the estimation of theoretical storage time for achieving the cathode with the same retention rate as actual storage in a shortened time by accelerated aging. Validation studies comparing accelerated aging results with real-time aging under natural conditions are further performed to assess the reliability of the accelerated aging model. This research provides insights into the aging mechanisms of cathode for AgO-Zn batteries and offers a systematic approach for the accelerated aging test, paving the way for the development of the prediction of battery performance and lifespan.

Study on thermal decomposition kinetics of azobenzene-4,4′-dicarboxylic acid by using compensation parameter method and nonlinear fitting evaluation

Study on thermal decomposition kinetics of azobenzene-4,4′-dicarboxylic acid by using compensation parameter method and nonlinear fitting evaluation

Thermal decomposition behavior of Mountain Pass rare earth concentrate in air/CO2 atmosphere

The Mountain Pass mine is recognized as one of the world’s primary sources of rare earth minerals. These rare earth minerals mainly consist of bastnaesite and a small amount of monazite phosphate, which cannot be decomposed and recovered through conventional oxidative roasting and hydrochloric acid leaching process. An efficient, clean, and economical process called the "combined method" was proposed for the utilization of the Mountain Pass mine to extract rare earths from Mountain Pass rare earth concentrate (MPREC). The main steps of this process include weak oxidation atmosphere roasting, step leaching of hydrochloric acid, solid-liquid separation, the monazite slag with sulfuric acid roasting water leaching, etc. In this paper, the roasting process of MPREC under a weak oxidation atmosphere was investigated. The study examines the thermal decomposition kinetics, phase transition process, and leaching behavior of MPREC in air/CO2 atmosphere. Results show that, the activation energy (Ea) for MPREC thermal decomposition in air and CO2 atmosphere are 146 and 320 kJ/mol, respectively. At temperature above 500 °C in air or above 700 °C in CO2 atmosphere, REOF are generated from bastnaesite through an in-situ reaction with CaO, which is decomposed from CaCO3, to form CaF2 and rare earth oxide (REO). Thus, F is regulated into solid phase. In an oxidizing atmosphere, the thermal decomposition of bastnaesite is accompanied by the rapid oxidation of Ce(Ⅲ). In contrast, the oxidation of Ce(Ⅲ) in a CO2 atmosphere is significantly inhibited. At 700 °C, the oxidation rate of Ce in air is 74.09%, while in a CO2 atmosphere, it is only 33.83%. The hydrochloric acid leaching experiment shows that, the leaching rate of rare earth after roasting at 600 °C under an air atmosphere reaches to 82.9%, and it reaches 87% after roasting at 800 °C under a CO2 atmosphere. The reduction of Ce oxidation in a weak oxidizing atmosphere significantly improves the leaching rate of Ce.

Thermodynamics and energy properties of the lowest eutectic mixture of TNBA/MTNP

In light of the challenges posed by the low density, diminished energy levels, and shrinkage holes in the loading arise of the current cast-cured explosive liquid vehicle, TNT, the investigation of low-melting eutectic materials as potential substitutes for TNT has emerged as a focal point of research. By employing the solvent-nonsolvent method, the lowest eutectic mixture of TNBA(2,4,6-trinitro-3-bromoanisole)/MTNP(1-methyl-3,4,5-trinitropyrazole) was synthesized, distinguished by a moderate melting point and markedly elevated energy levels as compared to TNT. Comprehensive SEM, EDS, IR, XRD, and XPS analyses were conducted on the lowest eutectic mixture, substantiating the absence of any chemical interaction between TNBA and MTNP and affirming their exceptional compatibility. Moreover, an exploration into the thermal decomposition behavior and mechanism of the lowest eutectic mixture was undertaken, its mechanical sensitivity was tested, and its detonation performance was evaluated by EXPLO-5 software. The thermal decomposition parameters of the lowest eutectic mixture closely paralleled those of the precursor materials, with the thermal decomposition kinetics model function being identified as the Jander function. The impact sensitivity of the lowest eutectic was 48.1 cm and the friction sensitivity was 12%. Furthermore, the density of the lowest eutectic mixture surpassed 1.8 g/cm3, and its detonation velocity approached 8000 m/s, markedly surpassing the explosive performance of TNT.

Research on the Control and Performance of Integrated Self-Assembled Micro-Scale Structure of NC-Coated CL-20

A novel self-assembly approach was employed to produce micro-spherical composite energetic material (EM) comprising 2,4,6,8,10,12-Hexanitro-2,4,6,8,10,12-hexaazaisowurtzitane/nitrocellulose (CL-20/NC) via the spray-drying method, with precise control over parameters such as droplet diameter, ambient temperature, and nozzle injection rate. In this method, NC was utilized as a coating for CL-20 to imbue it with distinct spatial characteristics, thereby mitigating its high sensitivity. Scanning electron microscopy (SEM) and X-ray diffraction (XRD) analyses were conducted to investigate the morphology of the CL-20/NC micro-spheres. Additionally, differential scanning calorimetry (DSC) was employed to study the thermal decomposition kinetics of both CL-20 and CL-20/NC. XRD findings revealed that the crystal structure of CL-20/NC micro-spheres prepared using acetone as the solvent remained unchanged, albeit with noticeable attenuation in diffraction peaks. DSC analysis indicated an increase of 4.87 K and 7.64 K in the thermal explosion critical temperature (Tb) and peak temperature (Te) of CL-20, respectively. Furthermore, the apparent activation energy was enhanced by 18.65 kJ·mol−1, signifying improved thermal stability. SEM analysis confirmed that the micro-spheres’ size ranged from 0.5 μm to 5 μm, displaying a regular spherical shape. Notably, the impact sensitivity (H50) of CL-20/NC tripled compared to raw CL-20.

Thermal Decomposition and Combustion Analysis of Malaysian Peat Soil Samples Using Coats Redfern Model-free Method

This research investigates the thermal decomposition behaviour of Malaysian peat soil through thermogravimetric analysis at varying heating rates. The study aims to analyse the thermal kinetics of decomposition for distinct peat soil types under inert and oxidative atmospheres while considering the role of available oxygen. The investigation encompasses virgin and agricultural peat, employing a non-isothermal thermogravimetric analysis technique to evaluate thermal decomposition characteristics and compute kinetic parameters using the Coats Redfern model-free approach. The pyrolysis profiles reveal three primary stages: moisture evaporation (30–180°C), organic component decomposition (200–500°C), and mineral decomposition (600–800°C). Virgin peat experiences a 43% mass loss during pyrolysis, while agricultural peat shows a 46% mass loss, emphasising insights into thermal behaviour and consistent decomposition patterns across peat types. Combustion profiles exhibit three main stages: dehydration (30–180°C), oxidative pyrolysis transforming organic matter into volatiles and char (200–300°C), and subsequent char oxidation (300–500°C). The study determines average activation energy trends, measuring 14.87 kJ/mol for virgin peat and 5.37 kJ/mol for agricultural peat under an inert atmosphere, and 28.89 kJ/mol for virgin peat and 36.66 kJ/mol for agricultural peat under an oxidative atmosphere. The research introduces an innovative two-step reaction model elucidating peat thermal decomposition kinetics (excluding dehydration), including a discussion on the impact of oxygen availability on kinetic parameters. These findings essential peat fire smouldering modelling, contributing to peat combustion behaviour for effective strategies to reduce peat fire risks.

Application of co-crystallization method for the production of ammonium perchlorate/ammonium nitrate oxidizer for solid rocket propellants

Efforts in the quest for greener alternatives to ammonium perchlorate (AP) as a solid rocket propellant oxidizer have intensified due to the associated health and environmental concerns. AP exceptional performance in propulsion is accompagnied by its environmental concerns, necessitating the exploration of greener alternatives. Ammonium nitrate (AN) has emerged as a promising substitute, offering cleaner combustion products and cost-effectiveness. AN-based propellants face challenges such as hygroscopicity and structural instability. This study aims to reconcile the latter challenges by employing a co-crystallization process that embodies a synergistic association of AP and AN, culminating in a novel molecule that harmonizes their distinct advantages and mitigates their individual shortcomings. Optimizing the solvent/antisolvent co-crystallization process through a variation of the antisolvent temperature Ta and antisolvent-to-solvent ratio Ra/s allows to assess their impact on the co-crystallization process of AP and AN and to attain the desired and optimal co-crystal formation conditions. Various characterization techniques were applied to gain deep insights into the co-crystal formation mechanism, its thermal behavior, morphological and structural features together with its thermal decomposition kinetics. Maintaining a low Ta and a high Ra/s (Ta = 15 °C, Ra/s = 11) yielded the design of AP/AN that demonstrates typical indications of the cocrystal formation. The AP/AN cocrystal formation elevated the decomposition temperature by about 18 °C compared to the physical mixture. Furthermore, the combination of AP and AN demonstrates a non-negligible decrease in the HTD temperature compared to that of pure AP by about 110 °C. The kinetic study demonstrated a 50 kJ/mol increase in the activation energy of the AP/AN cocrystal compared to that of the physical mixture. The present research addresses the critical gap in the literature by investigating the co-crystallization of AP and AN that not only improves the safety and environmental impact of solid propellants but also enhances their overall performance and stability.

Investigating Thermal Decomposition Kinetics and Thermodynamic Parameters of Hydroxyl-Terminated Polybutadiene-based Energetic Composite

Background: Hydroxyl-Terminated Polybutadiene (HTPB)-based energetic compositions have been developed for enhanced blast energetic composite, composite rocket propellant formulations, metal cutting, demolition, welding and explosive reactive armour in civil and military applications. The types and choice of curing agents are crucial in enhancing the mechanical and structural integrity of the binder. To understand the stability and safety of energetic composites for potential applications, it is necessary to understand the thermal decomposition kinetics and thermodynamic parameters clearly. Objective: The main objective is to study the decomposition kinetic and thermodynamic parameters of energetic composites cured by different curing agents. Methods: A series of energetic composites based on HMX (1,3,5,7-tetranitro-1,3,5,7- tetrazocane) and HTPB-based binder system cured with various curing agents were prepared by the cast cured method. The curatives, namely MDI (4,4’-methylene diphenyl diisocyanate), IPDI (isophorone diisocyanate), TDI (toluene dissocyanate) and TMDI (2,2,4-trimethylhexamethylene diisocyanate) were used. The thermal analysis method was employed to investigate the thermal decomposition characteristics, which are closely associated with the thermal stability and safety considerations during handling, processing, and storage. The kinetic parameters for thermal decomposition reactions were studied by employing the Flynn-Wall-Ozawa method. The thermodynamic parameters of the activation enthalpy, activation Gibbs energy free and activation entropy of all energetic composites were also determined by the theory of activated complex. Results: The thermogravimetric results show that the thermal stability is almost similar for all composites cured with the different types of curing agents. The average activation energy of the energetic composites cured with IPDI, MDI, TMDI and TDI was 207.5, 237.3, 243.3 and 187.6 kJ/mol, respectively. The thermodynamic parameters for the thermal decomposition process show that they are generally thermodynamically stable and non-spontaneous. Scanning electron microscope (SEM) micrographs of all the samples clearly indicate that HMX crystals are well embedded in the polymer matrices. result: The thermogravimetric results show that the thermal stability and thermal decomposition behaviour do not change significantly by varying the type of the curing agent in the HTPB-based binder. The SEM micrographs of all the samples clearly indicate that HMX crystals are well embedded in the polymer matrices. The averaged activation energy for the HMX/HTPB/MDI, HMX/HTPB/IPDI, HMX/HTPB/TDI and HMX/HTPB/TMDI samples obtained from FO method was 237.3, 207.5, 187.6 and 243.3 kJ/mol, respectively. The thermodynamic parameters including the activation enthalpy, activation Gibbs free energy and activation entropy for the thermal decomposition process show that they are generally thermodynamically stable and non-spathaceous. Conclusion: The thermal stability of all energetic composites is almost constant. The activation energy of the prepared energetic composites is significantly varied with varying the type of curing agents in the HTPB-based binder system. The thermodynamic parameters indicate that composites possess superior stability and thermal safety. The SEM micrographs indicate that HMX crystals of prepared composites are embedded in the polymer matrix.

Comprehensive kinetic modeling and product distribution for pyrolysis of pulp and paper mill sludge

Pyrolysis holds immense potential for clean treatment of pulp and paper mill sludge (PPMS), enabling efficient energy and chemical recovery. However, current understanding of PPMS pyrolysis kinetics and product characteristics remains incomplete. This study conducted detailed modeling of pyrolysis kinetics for two typical PPMSs from a wastepaper pulp and paper mill, namely, deinking sludge (PPMS-DS) and sewage sludge (PPMS-SS), and analyzed comprehensively pyrolysis products. The results show that apparent activation energy of PPMS-DS (169.25–226.82 kJ/mol) and PPMS-SS (189.29–411.21 kJ/mol) pyrolysis undergoes significant change, with numerous parallel reactions present. A distributed activation energy model with dual logistic distributions proves to be suitable for modeling thermal decomposition kinetics of both PPMS-DS and PPMS-SS, with coefficient of determination >0.999 and relative root mean square error <1.99 %. High temperature promotes decomposition of solid organic materials in PPMS, and maximum tar yield for both PPMS-DS (53.90 wt%, daf) and PPMS-SS (56.48 wt%, daf) is achieved at around 500 °C. Higher levels of styrene (24.45 % for PPMS-DS and 14.71 % for PPMS-SS) and ethylbenzene (8.61 % for PPMS-DS and 8.33 % for PPMS-SS) are detected in tar and could be used as chemicals. This work shows great potential to propel development of PPMS pyrolysis technology, enabling green and sustainable production in pulp and paper industry.

DNA interaction, biological, and structural identification studies of bivalent nano‐sized Nickel, Palladium, and Platinum chelates of 2‐(((Z)‐6‐chloro‐3‐((E)‐([2‐hydroxyphenyl]imino)methyl)‐4H‐chromen‐4‐ylidene)amino)phenol Schiff base ligand

New nano‐sized Ni(II), Pd(II), and Pt(II) Schiff base chelates of 2‐(((Z)‐6‐chloro‐3‐((E)‐([2‐hydroxyphenyl]imino)methyl)‐4H‐chromen‐4‐ylidene)amino)phenol were designed and manufactured. The structural characterization of these isolated compounds was accomplished through spectral measurements, thermal and elemental analyses, and magnetic moment and conductivity determinations. The nano‐sized metal(II) complexes molar conductance indicated that they exhibited non‐electrolytic behavior. The UV–Vis spectral data and magnetic moment provided evidence for producing octahedral geometries in the nano‐sized complexes of Ni(II), Pd(II), and Pt(II). Metal chelates' thermal characteristics and decomposition kinetics were examined through Coats‐Redfern technique. The kinetic aspects, including pre‐exponential factor (A), the entropy of activation (ΔS), and activation energy (E) were enumerated. The X‐ray diffraction (XRD) calculations results of the trivalent metal complexes showed that sharp and intense diffraction peaks signify their crystalline properties with nanoscale particle size, and another proof was obtained from the images of SEM, TEM, EDX, and AFM also homogeneous distribution over the complex surface was confirmed. Molecular modeling techniques were adopted to optimize the metal complexes geometry. The viscosity and UV–Vis absorption determinations were utilized to assess the calf thymus DNA (CT‐DNA) interaction with the nano‐sized metal(II) chelates. The acquired data revealed that the complexes exhibit a non‐intercalative or incomplete binding pattern when interacting with DNA. The calculated DNA‐complexes binding constants are 3.93 ± 0.02 × 10,4 1.67 ± 0.3 × 105 and 2.88 ± 0.03 × 105 M−1, for nano‐sized Ni(II), Pd(II) and Pt(II) Schiff base chelates, successively. Both Gram‐negative (Escherichia coli and Pseudomonas aeruginosa) and Gram‐positive (Bacillus subtilis and Streptococcus pneumoniae) micro‐organisms were tested against H2L Schiff base ligand and its nano‐sized metal(II) complexes. Candida albicans and Aspergillus fumigatus were tested for antifungal activity, revealing that most complexes had activity lower than H2L ligand, while the complex of Ni(II) exhibited no discernible antifungal activities. Furthermore, the manufactured complexes underwent testing for their in‐vitro anticancer and antibacterial effectiveness. Furthermore, the complexes antioxidant activity was appraised through DPPH and ABTS inhibition tests, revealing distinct scavenging abilities on DPPH radicals. The complexes were ordered according to their scavenging capacity as follows: Ni(II) complex &gt; Pd(II) complex &gt; Pt(II) complex. Finally, the study of cell cycle arrest by the Ni(II), Pd(II), and Pt(II) complexes on HEPG2 has also been performed through flow cell cytometry.

FTIR Characterization and Thermal Decomposition Kinetics of AN/AP-Based Composite Solid Propellants

ABSTRACT Solid Rockets are one of the most efficient and reliable rockets, but production of chlorine gases in the exhausts of these rockets is a major drawback. The toxic exhaust is due to the presence of ammonium perchlorate (AP) as the oxidizer. Thus, the solution to decrease this exhaust is the use of green oxidizers such as ammonium nitrate (AN), but it suffers from the drawback of low energetics and hygroscopicity, phase transitions at room temperatures, and incomplete combustion in pure form. The present work emphasizes the phase stabilization of AN in the presence of AP and cobalt nitrate hexahydrate (CNH) catalyst. FTIR study helps to identify present functional groups in the propellant samples. The thermal decomposition of AN/AP-based propellant samples was investigated with an STA Instrument under a nitrogen atmosphere with different heating rates. The kinetic studies reveal the steps of reactions and activation energy of propellant samples which were observed to change with the addition of AN and CNH. The overall studies confirm that AP and catalyst CNH help in the phase stabilization of AN in propellant samples and enhance the combustion reactions at lower temperatures. The burn rate and flame temperature of the AN-AP propellant sample are found to increase with the addition of a catalyst. The catalyst positively effects the energy barrier or activation energy, burn rate, and flame temperature of AN-AP propellant, thus confirming that the catalyst helps in the combustion process.

Insights into oxidant matching with green gas generator 5-aminotetrazole from aspects of thermal decomposition behavior, kinetics and combustion mechanism

The green gas generator 5-aminotetrazole (5-AT) is widely applied as an energetic material due to its exceptional characteristics. To investigate the impact of oxidants on the decomposition performance of 5-AT, we prepared three samples using three different oxidants (Sr(NO3)2, KNO3, and KClO4) along with 5-AT under the principle of zero oxygen balance. Then, thermal behavior of the three samples was examined using TG-DTA and TG-FTIR, and their activation energies for each reaction stage were calculated using iso-conversional methods. Results show that the decomposition of these samples occurs in multiple reaction stages and all oxidants, particularly KNO3, facilitate the thermal decomposition of 5-AT. Furthermore, the detailed decomposition mechanism of 5-AT with oxidants was speculated, including that there are two simultaneous ring-opening paths in the first thermal decomposition step of each 5-AT isomer. Eventually, this research can give a meaningful instruction to the formulation design of gas-generation propellant with fewer restrictions in their application.

Thermal decomposition kinetics and mechanism of poly(ethylene 2,5-furan dicarboxylate) Nanocomposites for food packaging applications

Poly(ethylene 2,5-furan dicarboxylate) (PEF) based nanocomposites containing different nanoparticles like Ag, TiO2, ZnO, ZrO2 Ce-Bioglass, have been synthesized via in-situ polymerization techniques targeting food packaging applications. Zeta potential measurements showed an increase in the negative zeta potential value due to an increase in the surface charge density of the nanocomposites. Thermogravimetric analysis results proved that, except PEF-ZnO nanocomposite, all the other nanocomposites exhibited good resistance to thermal degradation without serious mass loss until 330 °C. Thermal decomposition kinetic analysis and the dependence of activation energy on the degree of conversion (α), indicated that the presence of ZnO nanoparticles influences, the degradation mechanism of PEF. In contrast, the presence of Ce-Bioglass nanoparticles leads to a slower degradation process, contributing to the enhanced resistance to thermal degradation of the PEF-Bioglass nanocomposite. The thermal degradation mechanism of PEF nanocomposites analyzed by pyrolysis‒gas chromatography/mass spectrometry (Py-GC/MS) indicated that the primary thermal degradation mechanism for the studied nanocomposites was β-hydrogen bond scission, while to a lesser extent, α-hydrogen bond scission products were noted in PEF-TiO2 and PEF-ZrO2 nanocomposites.

Analysis of the methodology described in the thermoanalytical characterization involving aceclofenac compounds and their derivatives: what does the literature say?

The thermoanalytical characterization of aceclofenac compounds and their derivatives is essential for understanding their physical and chemical properties. Thermoanalytical techniques offer critical insights into these compounds' thermal behavior, stability, and decomposition patterns, providing vital information for their formulation, processing, and storage. Aceclofenac, a diclofenac derivative, is a widely used nonsteroidal anti-inflammatory drug (NSAID) for treating inflammatory diseases. This physicochemical characterization is pivotal for assessing their stability, solubility, and bioavailability, involving various analytical techniques like melting point determination, decomposition temperature assessment, and heat capacity analysis. Thermoanalytical methods like thermogravimetric analysis (TGA), differential scanning calorimetry (DSC), and Fourier transform infrared spectroscopy (FTIR) are frequently employed in pharmaceutical compound characterization, offering insights into thermal stability, decomposition kinetics, and molecular structure. This review summarizes recent literature on thermoanalytical methodologies characterizing Aceclofenac and its derivatives. A bibliographic review was conducted using the SciFinder web platform, resulting in the selection of ten relevant articles published between 2016 and 2023. The analysis reveals that thermal analysis is crucial for studying pharmaceuticals, providing insights into various physicochemical properties. Despite the importance of experimental methodologies in scientific publications, some studies lack adequate pre-experimental information, hindering reproducibility. In this review, it was observed that out of eight studies, twelve thermoanalytical techniques were employed for aceclofenac characterization, with DSC being the most used method. However, one author omitted crucial information about experimental procedures, highlighting the need for transparent reporting in scientific research.

Estimation of solar receiver corrosion conditions during operation to aid in the design of receiver-corrosion lab tests

Solar power tower plants widely rely on molten nitrite salt as heat transfer fluid and storage media. However, its corrosiveness endangers several metallic components, with central receivers being one of the most compromised. Great efforts are being made to establish molten salt corrosion in different metals. Recently, the importance of the amount of salt used in these experiments has been highlighted. Yet, most tests disregard the hot-receiver-surface/salt ratio that would represent the receiver operation conditions. Commonly, larger metal surfaces are employed, accelerating molten salt thermal decomposition kinetics. Hence, this study seeks to develop basic design conditions for experimental corrosion tests to realistically mimic receiver-tube corrosion. Consequently, the high-temperature operation of two receiver designs, resembling those of Crescent Dunes and Gemasolar plants, with their tubes manufactured in HA230, is analysed. The yearly salt degradation in these plants is found to be nearly negligible due to the large salt volume stored and the relatively limited receiver surface above concerning temperatures, with the whole salt volume being exposed to it for around 20 min during a 25-year operation for large receivers. Moreover, the hot-metal-surface/solar-salt ratio ranges from 5 to 7 mm2/kg, depending on the receiver design, which should be preserved in a corrosion experiment. Metal loss is also estimated: less than 7 % of the receiver would lose at least 50 % of the initial tube thickness. Still, lower metal loss rates are expected since coefficients from static-isothermal tests were employed for the calculation, which also disregarded the metal surface/salt proportion, leading to an overestimation.