Study of the thermal behavior of bicuíba oil (Virola bicuhyba)

Bicuíba belongs to the Virola bicuhyba (Schott ex Spreng.) Warb species, Miristicaceas (Myristicaceae) family, which is frequently found in the Atlantic Forest of South and Southeast Brazil. Extraction of the Bicuíba oil was carried out and characterized by gas chromatography. The composition of in nature of this oil indicates that there is a predominance of saturated fatty acids with ~35 % lauric acid and ~40 % myristic acid. Details concerning the thermal behavior were evaluated by thermogravimetry, differential thermal analysis, and differential scanning calorimetry under oxygen and nitrogen atmospheres, showing thermal stability between 208 and 210 °C, respectively. Additionally, the kinetic studies were evaluated from several heating rates with a sample mass of 5 and 20 mg in open crucibles. The obtained data were evaluated with the isoconversional method kinetic, where the values of activation energy (E _a/kJ mol^?1) were plotted in function of the conversion degree (α).     

Catalytic effect analysis of metallic additives on light crude oil by TG and DSC tests

This research aimed at the investigation of the effect of different metallic additive on the combustion and kinetic behavior of crude oil. For this purpose, the thermal behavior of the oil-only and oil–metallic salts mixtures were studies by the thermogravimetry (TG)/derivative thermogravimetry and differential scanning calorimetry (DSC) on heating rate at 10 °C min^?1. The result shows that Dagang crude oil exhibited apparent low temperature oxidation (LTO), fuel deposition, and high temperature oxidation processes. With the addition of metallic salts, the LTO process has been shortened and samples added CuSO₄, CrCl₃·6H₂O, and AlCl₃·6H₂O achieved a much lower peak temperature than that of oil. Based on the Arrhenius model, metallic additives were proven to have obvious influence on the combustion activation energy. And, by comprehensive analysis of TG/DSC profile and activation energy, ZnSO₄ exhibited a positive influence on light crude oil combustion during the high pressure air injection process.     

Thermal behavior of ara?a oil (Psidium cattleianum Sabine)

The ara?á is a well-known fruit, which belongs to the Myrtaceae family, Psidium cattleianum Sabine species, frequently found in the southern region of Brazil. The extraction of ara?a oil was carried out from seeds, and the fatty acid profile of this oil indicates the predominant presence of linoleic acid (81.38%). Thermogravimetry, derivative thermogravimetry, and differential scanning calorimetry (DSC) were used to characterize this oil. In addition, this oil was evaluated by DSC from 25 to ?60?°C, where the crystallization behavior was verified. Details concerning thermal decomposition as well as data of kinetic parameters of these stages have been described here. The kinetic behavior of the thermal decomposition was evaluated from several heating rates with mass samples of 5 and 20?mg in open crucibles under nitrogen and synthetic air atmospheres.     

Synthesis and thermal behavior of gem-dinitro valerylated polystyrene

Commercial polystyrene has been chemically modified with 4,4-dinitro valeryl chloride by use of Friedel–Crafts acylation reaction in the presence of anhydrous aluminum chloride in a mixture of 1,2-dichloroethane and nitrobenzene. The modified polystyrene containing –COCH₂CH₂C(NO₂)₂CH₃ fragments in side phenyl rings, named gem-dinitro valerylated polystyrene (GDN-PS), was characterized by an Ubbelohde’s viscometer, FTIR, and ¹H NMR spectroscopy. Simultaneous thermogravimetry–differential thermal analysis and differential scanning calorimetry (DSC) have been used to study thermal behavior of the polymer. The results of TG analysis revealed that the main thermal degradation for the GDN-PS occurs during two temperature ranges of 200–300 and 300–430 °C. The DTA curve of GDN-PS is showing a visible exothermic peak at 253.8 °C corresponding to the decomposition of gem-dinitro valeryl groups. The decomposition kinetic of the gem-dinitro groups for GDN-PS with degree of substitution (DS) 11 % was studied by non-isothermal DSC under various heating rates. Kinetic parameters such as activation energy and frequency factor for thermal decomposition of GDN-PS with DS 11 % were evaluated via the ASTM E698 and two isoconversional methods.     

Thermal behavior of jerivá oil (Syagrus romanzoffiana)

The jerivá is a well-known fruit, which belongs to the Arecaceae family, Syagrus romanzoffiana species frequently found in Brazil. Extraction of the jerivá oil was carried out, and the fatty acid profile of this oil indicates the linoleic and oleic acid presence, around 29.35 and 28.89%, respectively. Thermogravimetry (TG), derivative thermogravimetry (DTG), and differential scanning calorimetry (DSC) were used to characterize this oil. Additionally, this oil was evaluated by DSC from 25 to −80 °C, and the crystallization behavior was verified. Details concerning the thermal behavior as well as data of kinetic parameters of these stages have been described here. The obtained data were evaluated, and the values were plotted in activation energy (E _a/kJ mol⁻¹) in function of the conversion degree (α).     

The study of thermal decomposition kinetics of zinc oxide formation from zinc oxalate dihydrate

This study is devoted to the thermal decomposition of ZnC₂O₄·2H₂O, which was synthesized by solid-state reaction using C₂H₂O₄·2H₂O and Zn(CH₃COO)₂·2H₂O as raw materials. The initial samples and the final solid thermal decomposition products were characterized by Fourier transform infrared and X-ray diffraction. The particle size of the products was observed by transmission electron microscopy. The thermal decomposition behavior was investigated by thermogravimetry, derivative thermogravimetric and differential thermal analysis. Experimental results show that the thermal decomposition reaction includes two stages: dehydration and decomposition, with nanostructured ZnO as the final solid product. The Ozawa integral method along with Coats–Redfern integral method was used to determine the kinetic model and kinetic parameters of the second thermal decomposition stage of ZnC₂O₄·2H₂O. After calculation and comparison, the decomposition conforms to the nucleation and growth model and the physical interpretation is summarized. The activation energy and the kinetic mechanism function are determined to be 119.7 kJ mol^?1 and G(α) = ?ln(1 – α)^1/2, respectively.     

Synthesis, spectral and thermal studies of new copper (II) complexes with 1,2-di(imino-2-aminomethylpyridil)ethane

New copper (II) complexes of Schiff bases with 1,2-di(imino-2-aminomethylpyridil)ethane with the general composition CuLX _m (H₂O) _x , [L = Schiff base, X = Cl^?, Br^?, NO₃ ^?, ClO₄ ^?, CH₃COO^?, m = 2; X = SO₄ ^2?, m = 1] were prepared by template synthesis. The complexes were characterized by elemental analysis, conductivity measurements, magnetic moments, IR, UV–VIS and EPR spectra. The thermal behavior of complexes was studied using thermogravimetry (TG), differential thermal analysis (DTA) and differential scanning calorimetry (DSC). Infrared spectra of all complexes are in good agreement with the coordination of a neutral tetradentate N₄ ligand to the cooper (II) through azomethinic and pyridinic nitrogen. Magnetic, EPR and electronic spectral studies show a monomeric distorted octahedral geometry for all Cu(II) complexes. Conductance measurements suggest the non-electrolytic nature of the compounds, except for copper (II) nitrate and perchlorate complexes which are 1:2 electrolytes. Heats of decomposition, ΔH, associated with the exothermal effects were also determined.     

Thermal properties and kinetics of new-generation posterior bulk fill composite cured light-emitting diodes

In this study, the thermal behavior in terms of glass transition (T _g), degradation, and thermal stability of four commercial new-generation posterior bulk fill composites (Surefill SDR, Dentsply; Quixfill, Dentsply; Xtrabase, Voco; and Xtrafill, Voco) activated by light-emitting diodes (LEDs) was analyzed by thermogravimetric analysis (TG), differential scanning calorimetry (DSC), and dynamic mechanical analysis (DMA). The activation energies (E _a) for the decomposition of the dental resins were calculated based on the Kissinger and Doyle kinetic models from the peaks of the endothermic curves obtained when the specimens were heated at four different temperatures (5, 10, 15, and 20 °C min^?1) during DSC. The results show that the Xtrabase composite displayed the highest T _g (120 °C at a 5 °C min^?1 heating rate) and E _a (157.64 kJ mol^?1) values associated with thermal degradation from the main chain of the polymer.     

Uranium extraction from aqueous solution using dried and pyrolyzed tea and coffee wastes

The adsorption of U(VI) onto dried and pyrolyzed tea and coffee wastes was investigated. The adsorption properties of the materials were characterized by measuring uranium uptake as a function of solution pH, kinetics and adsorption isotherms. pH profile of uranium adsorption where UO₂ ²⁺ is expected to be the predominant species was measured between pH 0 and 4. Both Langmuir and Freundlich adsorption models were used to describe adsorption equilibria, and corresponding constants evaluated. Using the Langmuir model, the maximum adsorption capacity of uranium by dried tea and coffee wastes was 59.5 and 34.8 mg/g, respectively at 291 K. Adsorption thermodynamic constants, ΔH° ΔS° and ΔG° were also calculated from adsorption data obtained at three different temperatures. Adsorption thermodynamics of uranyl ions on dried tea and coffee systems indicated spontaneous and endothermic processes. Additionally, a Lagergren pseudo-second-order kinetic model was used to fit the kinetic experimental data for both adsorbents and the constants evaluated. Dried tea and coffee wastes proved to be effective adsorbents with high capacities and significant advantage of a very low cost.     

Studies on the thermal behavior and decomposition kinetic of drugs cetirizine and simvastatin

Understanding the response of drugs and their formulations to thermal stresses is an integral part of the development of stable medicinal products. In the present study, the thermal degradation of two drug samples (cetirizine and simvastatin) was determined by differential scanning calorimetery (DSC) and simultaneous thermogravimetery/differential thermal analysis (TG/DTA) techniques. The results of TG analysis revealed that the main thermal degradation for the cetirizine occurs during two temperature ranges of 165–227 and 247–402 °C. The TG/DTA analysis of simvastatin indicates that this drug melts (at about 143 °C) before it decomposes. The main thermal degradation for the simvastatin occurs during two endothermic behaviors in the temperature ranges of 238–308 and 308–414 °C. The influence of the heating rate (5, 10, 15, and 20 °C min^?1) on the DSC behavior of both the drug samples was verified. The results showed that as the heating rate was increased, decomposition temperatures of the compounds were increased. Also, the kinetic parameters such as activation energy and frequency factor for the compounds were obtained from the DSC data by non-isothermal methods proposed by ASTM E696 and Ozawa. Based on the values of activation energy obtained by ASTM E696 method, the values of activation energy for cetirizine and simvastatin were 120.8 and 170.9 kJ mol^?1, respectively. Finally, the values of ΔS ^#, ΔH ^#, and ΔG ^# of their decomposition reaction were calculated.     

Synthesis,characterization, and thermal study of solid-state alkaline earth metal mandelates,except beryllium and radium

Characterization, thermal stability, and thermal decomposition of alkaline earth metal mandelates, M(C₆H₅CH(OH)CO₂)₂, (M = Mg(II), Ca(II), Sr(II), and Ba(II)), were investigated employing simultaneous thermogravimetry and differential thermal analysis or differential scanning calorimetry, (TG–DTA or TG–DSC), infrared spectroscopy (FTIR), complexometry, and TG–DSC coupled to FTIR. All the compounds were obtained in the anhydrous state and the thermal decomposition occurs in three steps. The final residue up to 585 °C (Mg), 720 °C (Ca), and 945 °C (Sr) is the respective oxide MgO, CaO, and SrO. For the barium compound the final residue up to 580 °C is BaCO₃, which is stable until 950 °C and above this temperature the TG curve shows the beginning of the thermal decomposition of the barium carbonate. The results also provide information concerning the thermal behavior and identification of gaseous products evolved during the thermal decomposition of these compounds.     

MnCo<Subscript>2</Subscript>O<Subscript>4</Subscript> nanoparticles with excellent catalytic activity in thermal decomposition of ammonium perchlorate

MnCo₂O₄ spinel nanoparticles (NPs) have been prepared using Aloe vera gel solution. The characterization of prepared spinel was performed applying Fourier transform infrared spectroscopy, X-ray diffraction, Raman spectroscopy, transmission electron spectroscope, scanning electron microscope and dynamic light scattering. The results manifested that the prepared nanoparticles were mainly spherical plus minor agglomeration with average size distribution between 35 and 60 nm. The catalytic activity of the prepared nanoparticles upon thermal degradation of ammonium perchlorate (AP) was evaluated applying differential scanning calorimetry and thermogravimetry instruments. MnCo₂O₄ nanoparticles increased the released heat of AP from 450 to 1480 J g^?1 and decreased the decomposition temperature from 420 to 293 °C. The kinetic parameters obtained from Kissinger methods showed that the activation energy of AP thermal decomposition in the presence of MnCo₂O₄ NPs considerably decreased. Also, a mechanism has been proposed in the presence of catalyst for the process of thermal decomposition of AP.     

Thermal decomposition and kinetics studies on the 2,2-dinitropropyl acrylate–styrene copolymer and 2,2-dinitropropyl acrylate–vinyl acetate copolymer

In the present work, kinetics of thermal decomposition of 2,2-dinitropropyl acrylate–styrene copolymer (DNPA/St) and 2,2-dinitropropyl acrylate–vinyl acetate copolymer (DNPA/VAc) was investigated by differential scanning calorimetry (DSC). The influence of the heating rate (5, 10, 15, and 20 °C min^?1) on the DSC behavior of the copolymer was verified. The results showed that, as the heating rate was increased, decomposition temperature of the copolymer was increased. Also, the kinetic parameters such as activation energy and frequency factor of the copolymer were obtained from the DSC data by the isoconversional methods proposed by Kissinger–Akahira–Sunose (KAS) and Flynn–Wall–Ozawa (FWO). Average activation energy obtained by KAS and FWO methods for the thermal decomposition reaction of DNPA/St and DNPA/VAc are 157.38 ± 0.27 and 147.67 ± 0.57 kJ mol^?1, respectively. The rate constants for thermal decomposition calculated from the activation parameters showed the structural dependency. The relative stability of two copolymers under 50 °C was in this order: DNPA/St > DNPA/VAc. The results of thermogravimetry (TG) analysis revealed that the main mass changes for DNPA/St and DNPA/VAc occurred in the temperature ranges of 200–270 °C. The DSC-FTIR analysis of DNPA/St indicates that the band intensity of nitro and other groups increased haphazardly from 230 °C due to thermal decomposition.     

Synthesis and cure kinetics of diphenyl(diphenylethynyl)silane monomer

Diphenyl(diphenylethynyl)silane ((ph–C≡C)₂–Si–ph₂) (DPDPES) was synthesized by the Grignard reaction. The corresponding isothermal and non-isothermal cure kinetics of DPDPES were analyzed by using differential scanning calorimetry (DSC), and the molecular structure was characterized by H-NMR. The results showed that all the cure curves were typically sigmoid shape and cure reactions could be described by an autocatalytic kinetic model by isothermal DSC. The kinetic data, for example, activation energy (E) and frequency factor (A), were 119.22 kJ/mol and 4.67 × 10⁷ (s^?1), respectively. The non-isothermal DSC analyses showed that E and A were 162.12 kJ/mol and 1.32 × 10⁹ (s^?1), respectively, and the reaction order was 0.94. Based on the research work of this paper, it can be said that the cure reaction of DPDPES monomer was of autocatalytic and diffusion-controlled characteristics, and the effect of the diffusion was more evident at low temperature. The cure reaction of DPDPES was a first-order kinetic reaction.     

Study of thermal behavior of CrO3 using TG and DSC

Using two techniques of thermogravimetry and differential scanning calorimetry under O₂ and N₂ gas atmosphere from 25 to 600 °C, the thermal behavior of chromium(VI) oxide CrO₃ was investigated. The identity of products at different decomposition steps was confirmed by XRD technique. Both techniques produced similar results supporting the same steps for the compound. The received products were investigated by SEM electron microscope. The form and the size of crystals were investigated. Three distinct energy changes were observed, namely, two endothermic and one exothermic in DSC. The amount of ?H for each peak is also reported.     

Thermal and spectroscopic studies of solid oxamate of light trivalent lanthanides

Solid-state LnL₃·1.25H₂O compounds, where L is oxamate and Ln is light trivalent lanthanides, have been synthesized. Simultaneous thermogravimetry and differential scanning calorimetry (TG–DSC), experimental and theoretical infrared spectroscopy, TG–DSC coupled to FTIR, elemental analysis, complexometry, and X-ray powder diffractometry were used to characterize and to study the thermal behavior of these compounds. The results led to information about the composition, dehydration, thermal stability, thermal decomposition, and gaseous products evolved during the thermal decomposition of these compounds in dynamic air atmosphere. The dehydration occurs in a single step and through a slow process. The thermal decomposition of the anhydrous compounds occur in a single (Ce), two (Pr), and three (La, Nd to Gd) steps with the formation of the respective oxides, CeO₂, Pr₆O₁₁, and Ln₂O₃ (Ln = La, Nd to Gd). The theoretical and experimental spectroscopic study suggests that the carboxylate group and amide carbonyl group of oxamate are coordinate to the metals in a bidentate chelating mode.     

Evaluation of thermal stability and parameters of dissolution of nifedipine crystals

Nifedipine is a calcium channel blocker as well as a powerful vasodilator used to treat ischemic heart disease and hypertension. Its photosensitivity and very low solubility in water have been widely acknowledged as important properties deserving improvements. The main thrust of this study is to characterize the nature and the solid-state of nifedipine crystals obtained using different solvents as well as assess the stability by thermal methods (TG and DSC) and crystals structure by means of spectroscopic techniques (MID FTIR and XRD) and assess the dissolution parameters for such crystals. The calculated kinetic parameters activation energy (E _a = 123.3 kJ mol^?1 ± 0.1), the factor frequency (A = 25.93 ± 0.9 min^?1), and the reaction order (n = 0.2) of the main stage of thermal decomposition of nifedipine raw material were performed according to the Ozawa model. The data showed a zero-order kinetic behavior for all crystals despite the different values of E _a and A. The dissolution profiles were obtained for such crystals in three dissolution media with different pH values. After 1 h of dissolution, the higher amount of nifedipine dissolved was observed for crystals obtained in isopropyl alcohol (52.5 %, pH 4.5), followed by those in chloroform (48.1 %, pH 1.2) and subsequently in acetone (32.5 %, pH 6.8). Results showed different thermal stabilities and significant variations in the solubility of the crystals.     

Thermal and structural properties of commercial dental resins light-cured with blue emitting diodes (LEDs)

We have investigated the thermal and structural properties of different commercial dental resins: Filtek^TM Z-350, Grandio^®, Tetric Ceram^®, and TPH Spectrum^®. The purpose of the present study was to evaluate quantitatively the photo-polymerization behavior and the effect of filler contents on the kinetic cures of the dental resins by using Differential Scanning Calorimetry (DSC) and Fourier Transform Infrared Spectroscopy (FT-IR) techniques. We have successfully obtained the low and high glass transition T _g values of the dental composite resins from DSC curves. It was also observed a good agreement between the both T _g values, activation energies from thermal degradation, and the degree of conversion obtained for all samples. The results have shown that Tetric Ceram^® dental resin presented the higher T _g values, activation energy of 215 ± 6 KJ mol^?1, and the higher degree of conversion (63%) when compared to the other resins studied herein.     

Advanced isoconversional and master plot analyses on solid-state degradation kinetics of a novel nanocomposite

The decomposition kinetics of glycerol diglycidyl ether (GDE)/3,3-dimethylglutaric anhydride/nanoalumina composite have been investigated by thermogravimetry analysis under nonisothermal mode. The activation energy, E _a, of the solid-state decomposition process was evaluated using the advanced isoconversional method. From the experimental data, the dependence of conversion on temperature and activation energy was constructed allowing calculating the master plots. Our results showed that the decomposition mechanism at temperatures below 400 °C could be fitted by R2 kinetic model with E _a = 143 kJ mol^?1. The information about the kinetic parameters based only on thermal degradation data has been used for quick lifetime estimation at different temperatures. The Vyazovkin method was also employed to predict the times to reach α = 0.5 at isothermal mode using the activation energy calculated by the advanced isoconversional approaches. Scanning electron microscopy (SEM) analysis was carried out to investigate the fracture surface morphology. It was revealed from the SEM images that the presence of nanoalumina results in reinforcement of GDE matrix.