Variation Of Activation Energy Research Articles

Synergistic effects of tertiary amine and imidazole accelerators on epoxy resin curing

AbstarctIn order to improve the curing rate, this study investigated the influence of various accelerators and their combinations on the curing behavior of epoxy resins. differential scanning calorimetry (DSC) was used to analyze the curing behavior of various accelerators in diglycidyl ether of the bisphenol A epoxy resin and the methyl hexahydrophthalic anhydride curing system, and activation energies were calculated using the Kissinger and Ozawa models. The results indicated a self‐catalytic characteristic in the curing process and showed that the activation energies for tris(dimethylaminomethyl)phenol (DMP‐30) and 1‐cyano‐2‐ethyl‐4‐methylimidazole (2E4MZ‐CN) were significantly lower compared to N,N‐dimethylbenzylamine, demonstrating higher curing reactivity. Furthermore, a novel strategy combining tertiary amine accelerator (DMP‐30) and imidazole accelerator (2E4MZ‐CN) was proposed and the activation energy variations with the degree of cure were analyzed employing the KAS method. When the mass ratio of DMP‐30 to 2E4MZ‐CN was 1:3, the activation energy was 59.08 kJ/mol, approximately 12% lower than using a single accelerator, which indicated the synergistic effects of the accelerators. Finally, the mechanism of synergistic effect of tertiary amine and imidazole accelerators on epoxy resin curing were proposed.

Physico-mechanical properties, hydroxyapatite conversion, biodegradability and antibacterial activity studies of melt-derived BGs based on SiO2-CaO-Na2O-P2O5 quaternary system

The slow biodegradation and low hydroxyapatite (HA) conversion of silicate-based bioactive glasses (BGs) have severely limited their compatibility with biological tissues. To address these challenges, four samples in the form of (52-x)SiO2-24Na2O-24CaO-xP2O5, where x is 2, 4, 6, and 8 mol%, were prepared by a unified melt-quenching method, and the feasibility of P2O5 content fine-tuning in improving glass structure, biodegradability, bioactivity, and antibacterial efficiency was evaluated. The results indicated that as the degree of P2O5 substitution increased, the network structure of the glass became looser, which provided favourable conditions for its degradation. The variation in activation energy for Si4+ ion release from 0.39 eV to 0.25 eV also supported this observation. After 7 days of immersion in simulated body fluid (SBF), analyses by energy dispersive spectroscopy (EDS), X-ray diffraction (XRD) and Fourier transform infrared (FTIR) confirmed that the Ca-P compounds deposited on the glass surfaces were essentially hydroxycarbonated apatite (HCA), and scanning electron microscopy (SEM) images revealed that the generation rate of the HCA were positively correlated with the P2O5 content in the glass system. Meanwhile, antibacterial studies showed that after 24 h of incubation, the antibacterial activity of the four glass samples against Escherichia coli (E. coli) successively increased, with the highest percentage reaching 87.13 ± 2.51 %. In conclusion, this study demonstrates that controllable degradation and high-level bioactivity can be achieved by modulating the P2O5 content in silicate-based BGs, which proves to be an effective and practicable strategy.

Understanding the kinetics of waste plastic catalytic pyrolysis under microwave irradiation for enhanced resource valorization

The increasing accumulation of ABS plastic waste poses significant environmental challenges, necessitating efficient methods for its disposal and recycling. The pyrolysis of the ABS plastic waste was performed under various heating programs including constant heating rate (27.5, 42.2 and 65 K min−1), and sample-controlled reaction rate (0.01 min−1) to obtain the TG curves using the in-house developed microwave assisted thermogravimetric analyzer. Fe-impregnated SiC was used as thermal and chemical catalyst, while neat SiC played only thermal catalyst role. The modified Sestak-Bergren equation used to model the TG data by Pearson’s linear correlation and associated parameters n = 1.129 and m = 0.27 was achieved. The comparison of normalized form of the conversion function (f (α)/f (0.5)) with the most common models of solid-state reactions showed that random scission model (L2) was the most suitable approach to physically explain the pyrolysis of ABS plastic waste. Furthermore, by applying isoconversional kinetic analysis, the variation of activation energy (Eα) with conversion value was approximately constant. The Eα obtained was 140.5 and 63.7 kJ/mol with SiC and Fe/SiC, respectively. These findings hold practical implications for industrial applications or waste management strategies, particularly when considering the developed microwave-assisted real-time TGA-pyrolysis, which can enhance the efficiency and sustainability of plastic waste recycling processes.

Weight loss, electrochemical measurements and DFT studies on corrosion inhibition by 7-mercapto-4-methylcoumarin

Corrosion becomes a severe problem in several sectors due to its various effects. The present work focusing for corrosion inhibition efficiency of mild steel in 1 M HCl using 7-mercapto-4-methylcoumarin (MMC) through experimental and theoretical methods. Thus, the key goal is to understand to what extents MMC is efficient in avoiding corrosion in various situations. With this end in view, electrochemical impedance spectroscopy (EIS), dynamic polarization (DP) test and weight loss measurements were carried out. The outcomes showed the fact that corrosion mitigation efficiency was directly proportional to the concentration MMC but it was negatively proportional to temperature. The highest inhibition efficiency, up to the 95.8 %, was demonstrated at an inhibitor concentration of 0.5 mM. Based on Langmuir adsorption isotherm the wear properties of the mild steel indicated a mixed passive nature during MMC interactions. Additionally, quantum chemical calculations, including density functional theory (DFT), were achieved to determine the MMC molecular structure and its inhibition efficiency relationships. Key parameters such as the energy gap (Egap), EHOMO, ELUMO, hardness (η), softness, electronegativity (χ), and electron fraction transitions (ΔN) were also determine. The results from these computations were confirmed with the experimental results, confirming the mixed inhibition characteristics of MMC. The variation in activation energy in the presence of tested inhibitor further validated its effective as a corrosion inhibitor, with comprehensive insights into its potential industrial usages.

Controllable morphology, excellent stability and non-equivalent doping-induced optical properties of Mn4+-activated K2NaScF6 red phosphor for high-quality warm WLED

Currently, Mn4+ activated fluoride red phosphor has been widely studied to improve the optical performance of white light-emitting diode (WLED) in the field of high-efficiency lighting and wide color gamut backlight display. In this paper, a series of red-emitting K2NaScF6:Mn4+ phosphors are synthesized by a simple co-precipitation method with a non-equivalent substitution of Mn4+ for Sc3+ at room temperature. The crystal structure, morphology and elemental composition of K2NaScF6:Mn4+ phosphors prepared using different reaction conditions are systematically investigated. Interestingly, the K2NaScF6:Mn4+ phosphors exhibit narrowband red emission with low correlated color temperature (CCT), high color purity and short fluorescence lifetime. Compared to equivalent doping, the mechanism of short fluorescence lifetime caused by non-equivalent doping has also been systematically discussed. The optimal doping concentration is determined by setting a series of Mn4+ doping concentrations and the concentration quenching mechanism is analyzed. The crystal field strength (Dq), Racah parameters (B and C) and nephelauxetic ratio (β1) are calculated in detail to evaluate the crystal field environment of Mn4+ in K2NaScF6. The good water resistance of the as-prepared sample K2NaScF6:Mn4+ is verified by comparing with the commercially available phosphor K2SiF6:Mn4+. Moreover, the thermal stability is also analyzed by calculating the activation energy (Ea), chromaticity shift (ΔE) and chromaticity coordinate variation (CCV). Importantly, the as-packaged warm WLED (InGaN chip + YAG:Ce3+ + K2NaScF6:Mn4+) has excellent optical properties (CCT = 4082 K, color rendering index (CRI, Ra = 91.2) and luminous efficiency (LE) = 78.86 lm/W), and it exhibits good output stability at high drive currents. In summary, our work demonstrates that K2NaScF6:Mn4+ red phosphors possess a great potential application in warm WLED for the indoor lighting.

Spacer dependence of exciplex dynamics in donor/spacer/acceptor layers

Exciplexes are crucial in organic optoelectronic devices since well-elaborated charge-transfer (CT) complexes exhibit unique exciton generation behavior. Thus, understanding the CT energy structures with exciton dynamics depending on donor–acceptor separation distances is essential for extracting their full potential. In this study, we investigated a long-range exciplex behavior between the electron donor of tris(4-carbazoyl-9-ylphenyl)amine (TCTA) and the electron acceptor of 2,4,6-tris[3-(diphenylphosphinyl)phenyl]-1,3,5-triazine (PO-T2T) by finely controlling their distance with 1,4-bis(triphenylsilyl)benzene (UGH-2) as a spacer layer. We report the characteristic exciplex photophysical kinetic behavior with time-dependent dynamics in terms of the donor–acceptor distance associated with the singlet–triplet energy gap and activation energy variation.

Can varying activation energy be determined reliably from thermogravimetric experiments?

Solutions of the general isoconversional kinetic equation were generated and compared assuming activation energies, E, which vary with the advance of the reaction, α. Series belonging to 4–5 heating rates were compared. TG curves simulated with highly varying activation energies could approximate well the curves simulated with first-order kinetics and constant E. This observation indicates that the information content of a series of TG curves at constant heating rates is not sufficient for the determination of activation energies that vary with the advance of the studied reactions. The problem proved to be smaller when differential curves were compared in the same way; the uncertainties decreased by factors 0.2–0.5. There is a standard procedure of ASTM International (ASTM E2958-19, 2019. https://doi.org/10.1520/E2958-21) that describes the estimation of E from experiments carried out at a specific modulated temperature program. The reliability of this procedure was also tested and found to be low, though not as low as that of the evaluation of TG curves at linear temperature programs with usual heating rates. The work continues and complements a recent study of the author (Várhegyi in J Therm Anal Calorim 148:12835–12843, 2023).

Comprehensive Understanding of the Heavy Oil Combustion Process: Reaction Behavior, Kinetic Triplet, and Mechanism Implication.

In this work, thermo-oxidative behavior, kinetic triplet, and free radical mechanism of ultraheavy oil during an in situ combustion (ISC) process were systematically surveyed via multiple thermal analysis techniques (TG/DTG/DSC/PDSC), model-free methods, and related mathematical simulation. First, specific mass loss, exothermic intensity, and corresponding temperature intervals were respectively determined in low-/high-temperature oxidation (LTO/HTO) regions. In addition, the comparison of atmospheric/pressurized differential scanning calorimetry (DSC/PDSC) experiments indicated that the pressurized conditions could obviously strengthen the oxidation progress with more heat emission. Then two model-free methods were contrastively employed for PDSC data to calculate LTO and HTO activation energy variations with the conversion rate. Moreover, the acceleratory rate model for LTO and the Sestak-Berggren model for HTO were accordingly picked as the most probable mechanism functions, which were later used to determine the simulated curves. Then, the simulations of α-T and dα/dT-T curves were respectively attained using Friedman equation in MATLAB software and contrasted with experimental data to validate the accuracy of the yielded kinetic triplet and forecast the combustion behavior. Further, the evolution pathways of the underlying oxidation mechanism was illustrated. This study updates the understanding of the nonisothermal combustion process, contributing to the subsequent numerical simulation and feasible investigation for in situ combustion implementation to enhance heavy oil recovery.

A modification to the Friedman and Ortega isoconversional methods for evaluation of the activation energy as a function of conversion and temperature

The Friedman and Ortega isoconversional methods typically apply linear regression to the isoconversional kinetic data for calculation of activation energy solely as a function of extent of conversion. However, in complex reactions, activation energy depends on both conversion and temperature. Our modification involves quadratic curve fitting instead of linear regression, resulting in the determination of activation energy as a function of conversion and temperature. The new technique enables the calculation of the temperature dependence of activation energy for different heating rates, making it a valuable addition to isoconversional analysis. The conventional and modified approaches were utilized on the isoconversional kinetic data concerning polyethylene thermal degradation. The results provided a more detailed representation of the variations in activation energy when nonlinear regression was used.

Estimating shelf life and degradation mechanisms of nitrile butadiene rubber for viscoelastic dampers

This study investigates the shelf life of nitrile butadiene rubber (NBR) based on age and temperature factors. Natural aging of nitrile butadiene rubber samples is performed under laboratory conditions for 2 years, followed by thermogravimetric analysis to evaluate Arrhenius parameters. Toop’s equation is used to predict shelf life at 5% conversion rate. Model-free kinetic methods, including Ozawa-Flynn-Wall (OFW), Kissinger-Akahira-Sunose (KAS), and Kissinger, estimate shelf life at different temperatures for both virgin and naturally aged nitrile butadiene rubber. Results show close correlation between KAS and Kissinger methods, with slight variations in activation energy impacting shelf life. Fourier-transform infrared spectroscopy (FTIR) tests assess functional group changes with age. Virgin nitrile butadiene rubber activation energy: OFW-73.33 kJ/mol, KAS-68.43 kJ/mol. Aged nitrile butadiene rubber activation energy: OFW-72.57 kJ/mol, KAS-67.88 kJ/mol. Shelf life at 40°C: Virgin nitrile butadiene rubber - OFW-111.29 years, KAS-26.31 years. Aged nitrile butadiene rubber - OFW-89.01 years, KAS-22.37 years. These findings provide valuable insights for predicting and assessing nitrile butadiene rubber viscoelastic damper performance in engineering applications.

High-throughput determination of the interdiffusion coefficients and atomic mobilities in bcc Ti–Fe–V alloys

A comprehensive understanding of diffusion kinetics of the Ti–Fe–V system is crucial for elucidating the solidification process in high-strength titanium alloys. In this paper, ten sets of diffusion couples within bcc Ti–Fe–V alloys that underwent annealing at temperatures of 1273K, 1323K, and 1373K were prepared. Composition-distance curves were determined using the electron probe microstructure analysis technique. Atomic mobility parameters and interdiffusion coefficients were obtained using the numerical inverse method with the assistance of HitDIC software. It should be noted that the atomic mobility parameters for Ti–Fe and Ti–V were reoptimized using the most up-to-date thermodynamic descriptions. This approach enables the acquisition of comprehensive data regarding the temperature-composition relationship in diffusion. D˜FeFeTi exhibits a markedly greater value compared to D˜VVTi. Both D˜FeFeTi and D˜VVTi demonstrate an increase with the increase of temperature. Furthermore, the Arrhenius equation can be applied to solve for the variation in frequency factors and activation energies concerning temperature and composition.

SYNTHESIS AND DIELECTRIC CHARACTERIZATION OF MnO ADDED ZnO-TeO2-B2O3 GLASSES

Using the conventional melt-quench technique, a glass system of specific composition 20ZnO- (28-x) Te2O3-52B2O3: x mol% MnO where 'x' varies from 0.5 to 2.0 was synthesized. All the prepared glass samples were examined for their solid-state behavior by XRD and SEM those confirm the non-crystalline state. In this work, three important dielectric properties were experimentally measured across 1 to 100 kHz frequency and room temperature to 200oC range. These parameters show an increasing trend with dopant which confirms the growing degree of disorder due to trivalent manganese ions that acted as modifiers with large concentrations. However, the reasons for variation in activation energy including other dielectric parameters are discussed in detail through the oxidation states of manganese ions and their structural changes.

Understanding the motional dynamics of the ammonium ion in the mechanism of multiferroicity of Cr(V) peroxychromates: a 1H NMR study.

Cr(5+)-based peroxychromates, M3Cr(O2)4, with M = NH4 or a mixed NH4-alkali metal are a new class of multiferroics for potential use in molecular memory devices, with the NH4+ being a key element, but the underlying chemical mechanism is not fully understood. The NH4+ ion occupies two different sites, but their specific roles are not known. We thus performed detailed 1H NMR spin-relaxation (T1) measurements on (NH4)3Cr(O2)4 over a wide temperature range (120-300 K) to probe the displacive as well as hindered rotational dynamics of the NH4+ ions with the view of understanding their specific roles in the phase transitions. The NH4+ dynamics is seen to consist of at least three different processes with varying activation energies. The sharp jump in the T1 at around 250 K is assigned to the change in the displacive motion at one of the two sites, while a kink around 140 K is ascribed to motional slowing at the second site. Interestingly, the slowing down starts around 250 K, well above the structural phase transition at 140 K. Taken together, these results provide a clue to the role of the site and symmetry of the NH4+ ion in the mechanism of solid-solid phase transitions.

The influence of B doping on phase formation and microstructural evolution in NHL during solid-state reactions

Natural Hydraulic Lime (NHL), was synthesized by doping B2O3 into calcium carbonate and silica aerogel. By introducing varying levels of B3+ ion doping (0/1/5/10/15/20/25 mol%), a range of NHL compositions were successfully prepared, thereby enabling regulation of the NHL phase composition. Furthermore, through the doping of 25 mol% B3+ ions, in-depth investigations employing XRD, SEM, and FT-IR were conducted to explore phase transitions and ion migration during NHL calcination at different temperatures. Thermal analysis kinetics studies further revealed the variation of activation energies for CaCO3 decomposition and C2S crystallization with changing levels of B3+ ion doping. The introduction of B ions was observed to stabilize the α’ phase of dicalcium silicate (C2S) and moderately enhance the reactivity of calcium oxide (CaO). B3+ ions significantly influenced the crystallization mechanism of C2S, shifting it from a diffusion-controlled process to a heterogeneous nucleation process. The application of the Kissinger and Flynn-Wall-Ozawa (FWO) methods assisted in elucidating the underlying reasons for these differences. Both approaches demonstrated a substantial decrease in activation energy, signifying the pronounced influence of B doping on the sintering regime and phase transition mechanism of NHL. In summary, the precise modulation of NHL phase composition and sintering regime was achieved through B doping. These findings not only deepen our understanding of the mechanistic role of B3+ ions in NHL preparation and application but also offer robust guidance for the production process of NHL.

Synthesis, optical characteristics and thermal stability of Mn4+-doped Na3GaF6 red-emitting phosphor for high-performance warm WLED

Nowadays, Mn4+-activated fluoride red phosphors with high color purity, strong zero phonon line emission and relatively short decay time are crucial for improving the optical performance of WLED and emerging applications. In this work, a series of red-emitting Mn4+-activated fluoride phosphors in consideration of the non-equivalent substitution of Mn4+ for Ga3+ in the Na3GaF6 host are synthesized via the coprecipitation method at room temperature. The use of different reaction solvents successfully regulates the morphology, size and luminescence intensity of the phosphor. Under blue light excitation, Na3GaF6:Mn4+ sample shows a bright narrow-band red emission with exceptional correlated color temperature (4029 K). Moreover, the emission of strong zero phonon line induces the outstanding color purity of red light (93%). In addition, the critical concentration of Mn4+ is determined to be 0.04 and the concentration quenching mechanism is also systematically discussed. Noticeably, when Na3GaF6:Mn4+ phosphor achieves maximum fluorescence emission, its fluorescence lifetime value is only 3.48 ms. Additionally, the theoretical calculated results demonstrate that Na3GaF6 host can provide strong crystal field strength for Mn4+, and the Racah parameters (B and C) and nephelauxetic ratio (β1) are used to evaluate the nephelauxetic effect of Mn4+, which is compared with other types of Mn4+-activated phosphors. The activation energy, chromaticity shift and chromaticity coordinate variation are systematically calculated to analyze the thermal stability of Na3GaF6:Mn4+ red phosphor. Meanwhile, by employing the as-prepared phosphor Na3GaF6:Mn4+ as a red component, a high-performance warm WLED shows a full spectrum emission, and the corresponding cold white light emission is also transformed into the warm white light emission (CCT = 4224 K, Ra = 89.1 and LE = 111.72 lm/W). Moreover, under high driving current, such WLED exhibits stable output light efficiency. These results suggest that Na3GaF6:Mn4+ as red phosphor has a stupendous potential for warm WLED in indoor lighting.

Complex dielectric and impedance analysis in Dy1-XPrXMnO3 compounds: Partial substitution effects

Synthesis and characterization of single phasic Dy1-xPrxMnO3 (DPMO) ceramic samples through solid-state reaction (SSR) method are reported in present study. XRD analysis confirmed the structural formation of DPMO and revealed lattice changes induced by Pr substitution that affect JT-distortion and tilting of MnO6 octahedra. Fine-grained microstructures with a micrometre-sized grain size were observed using FESEM images, which increased with increasing Pr concentration. The variation of activation energy in DPMO was found to be induced by modification in Mn–O bond distances. The dielectric behaviour of DPMO was significantly enhanced, which was explained using the UDR model fitting. Impedance analysis confirmed the existence of non-Debye type relaxation and negligible electronic polarization mechanisms in all DPMO samples. With the increase in temperature, a reduction in the magnitude of Z' was observed, indicating a decrease in the resistance of contributing electroactive components such as grains, grain boundaries, and electrode interfaces. Electric modulus studies revealed the existence of grain and grain boundary relaxation processes throughout the studied frequency and temperature range in DPMO compounds. Overall, the study provides deep insights into the effect of Pr substitution on the structural, electrical, and dielectric properties of DPMO and highlights the potential of DPMO for future electronic and energy device applications.

The exploration of pyrolysis characteristics, kinetics and product distribution of Bermuda grass via TG, Py-PIMS and Shuffled Complex Evolution

The pyrolysis behaviors of biomass play an important role in understanding energy utilization. The pyrolysis characteristics, kinetics and product distribution of Bermuda grass were investigated based on thermogravimetric (TG), pyrolysis with photoionization mass spectrometry (Py-PIMS) and Shuffled Complex Evolution algorithm (SCE). The temperature range for weight loss is 450–850 K and the pyrolysis process can be classified into two regions based on the variation of activation energy, with conversion rates of 0.10–0.40 (Region Ⅰ) and 0.40–0.75 (Region Ⅱ). According to the Flynn-Wall-Ozawa (FWO) and Kissinger-Akahria-Sunose (KAS) methods, the mean activation energy values for Region Ⅰ are 126.70 kJ/mol and 124.20 kJ/mol, respectively. while the values for Region Ⅱ are 161.70 kJ/mol and 159.90 kJ/mol, respectively. Then, a three-component parallel reaction model based on the SCE algorithm was proposed and the pyrolysis kinetic parameters were optimized. The results showed the predicted values using the optimized kinetic parameters are well agreeable with experimental data, which shows that the optimized kinetic parameters and the three-component parallel reaction model may be applicable to the Bermuda grass pyrolysis. Moreover, the Py-PIMS results confirmed that the fast pyrolysis products of Bermuda grass included furan derivatives, ketones, cyclopentanones, phenols, aromatic hydrocarbons, acids and esters.

Innovative Morphology Control Method: Modulating Metal Ratios in NixCoP@NF for Hydrogen Evolution Reaction

AbstractThe use of non‐precious metal materials for catalyzing the hydrogen evolution reaction (HER) holds significant importance for the widespread application of new energy technologies. In this study, we prepare a novel foam nickel (NF) supported NixCoP (NixCoP@NF) nanocrystal through a one‐pot hydrothermal method and high‐temperature phosphorization, involving a straightforward process. Innovatively, we achieve morphology control of NixCoP@NF by altering the Ni : Co ratio to maximize its active surface area. The resulting ′petal‐like′ Ni0.5CoP@NF nanostructure exhibits high activity and long‐term durability in an alkaline medium (1 M KOH), with an overpotential of 58 mV at a current density of 10 mA ⋅ cm−2, a Tafel slope of 60.82 mV ⋅ dec−1, and demonstrates lower impedance compared to most non‐precious metal HER electrocatalysts. Furthermore, the variation in activation energy (Ea) reflects the thermodynamic advantages during the electrolysis process. This work offers a new approach for the development of simple and cost‐effective HER catalysts.

Kinetic and thermodynamic study of pyrolysis of the hydrolyzed residue of rice straw and husk by subcritical water process using thermogravimetric analysis

AbstractThe use of hydrolyzed rice straw (HRS) and hydrolyzed rice husk (HRH) as feedstock for pyrolysis was evaluated through kinetic and thermodynamic studies. HRS and HRH were obtained from subcritical water hydrolysis (SWH) at different temperatures (180, 220, and 260°C). The Coats‐Redfern method was used to analyze the thermal behavior through thermogravimetry (TG) and derivative thermogravimetry (DTG) curves. TG profiles showed higher decomposition in the range of 250–400°C, especially for rice straw (RS) and HRS (80 wt %). The pyrolysis curves were well predicted by a first‐order reaction model. The kinetic analysis showed a variation in activation energy (EA) between 24.3 to 41.3 kJ mol−1 and 40.4 to 54.7 kJ mol−1 for RS/HRS and rice husk (RH)/HRH, respectively. The enthalpy (ΔH), Gibbs free energy (ΔG), and entropy (ΔS) varied from 25.9 to 39.6 kJ mol−1, 35.4 to 69.6 kJ mol−1, and −64.1 to −6.7 J mol−1 K−1, respectively, for RS/HRS, and 35 to 49.8 kJ mol−1, 43.2 to 79.3 kJ mol−1, and −53.5 to −10.2 J mol−1 K−1, respectively, for RH/HRH. These results showed that the pyrolysis reactivity using HRS is higher than HRH, which indicates the pyrolysis of HRS is more advantageous than HRH.

Solid phase synthesis of alkoxyl tin and the role of alkyl for Multi-stage thermal decomposition of polyvinyl chloride

To prepare an innovative thermal stabilizer for polyvinyl chloride (PVC), the micro-nano powders of alkoxyl tin (RxOSn) were synthesized via a solid phase reaction at room temperature, using the surfactant sodium benzene sulfonate (SBS) as a catalyst. Theoretical calculation of deprotonation reaction energy of monobasic alcohol and tin chloride was performed with the framework of DFT, and their structures were characterized by XRD, SEM, FT-IR, XPS, and its surface wetting performance was carried out by contact angle (CA). Meanwhile, the multi-stage thermal stability of PVC with 10% RxOSn sample, and the role of alkyl groups (Rx, x = 2 ∼ 5) in the RxOSn/PVC were investigated. The results show that the RxOSn samples exhibit a microstructure akin to the rutile of SnO2. Multi-stage kinetic studies of exothermic reactions has confirmed that the alkoxyl wetting performance of stabilizers becomes a determining factor, while the variation in activation energy (Ea) values seems to be mainly influenced by the Rx alkyl groups in the RxOSn samples. Besides, the differences in the lattice parameter a of RxOSn were validated to have a certain impact on the stabilizing effect of PVC, and the Ea of PVC degradation is closely related to the relative value of exposed crystal surfaces (D(110)/D(101)). This series of materials is easily synthesized and can effectively enhance the thermal stability of PVC, offering a wide range of potential applications.