Kinetic Investigation Research Articles

Enhanced Structural VS4 Grown onto Hollow Carbon Mesoporous Spheres via Surficial Bonding for High Cycling Stability in Sodium-Ion Batteries.

Transition metal sulfides are recognized as an excellent alternative to sodium ion anodes ascribed to the outstanding theoretical capacity. The unique crystal arrangement of VS4 gives it exceptional theoretical capacity, despite challenges like insufficient electrical conductivity and undesirable volume expansion. Herein, a novel stabilized anode featuring a distinctive 3D hollow spherical structure is proposed, providing a simple strategy to synthesize such anodes for VS4-HCMSs bonded via C-O-S and V-O-C interfaces. The kinetic investigations and density functional theory reveal that the unique structure connected by interfacial bonds enhances Na+ transport rate and charge transfer efficiency, while carbon greatly mitigates the volume expansion. Unsurprisingly, the VS4-HCMSs exhibit an impressive first-cycle Coulombic efficiency of 91.31% and an ultrahigh reversible capacity of 612 mAh g-1 after 300 cycles at 0.5 A g-1, even exhibit the reversible capacity of 498.8 mAh g-1 after 1000 cycles at 5 A g-1. Additionally, the NaFePO4//VS4-HCMSs full cell is cycled for 200 cycles at 0.2 C and powered the light-emitting diodes for up to 30 minutes afterward. Overall, this work enhances the conductivity and stability of the material by combining VS4 with hollow carbon mesoporous spheres through interfacial bonding, offering an efficient strategy to anode materials in sodium-ion batteries.

Kinetic investigation on palladium‐catalyzed carbonylation of allyl alcohol

AbstractPalladium‐catalyzed carbonylation of allyl alcohol to 3‐butenoic acid has been investigated. A significant effect of halide promoters, p‐tolylsulfonic acid (TsOH), water, solvents, and PPh3 concentration activity and selectivity has been studied. Detailed kinetics of this reaction was investigated in a temperature range of 363–383 K. The influence of parameters such as stirring speed, allyl alcohol, catalyst, benzyltriethylammonium chloride (BTEAC), TsOH concentrations, and CO partial pressures on the activity and selectivity has been studied. An empirical rate equation was suggested and found to be fairly consistent with observed rate data. In addition, the activation energy and kinetic parameters were evaluated.

Serve Dynamics: Applying a Bibliometric Approach in the Kinetics and Kinematics Analysis for Flat and Topspin Serves in Tennis

Objectives. The study aimed to completely examine the existing research on the investigation of kinetics and kinematics analysis for flat and topspin serves in tennis, with a special focus on improving performance and reducing injury risks for players. Material and Methods. In order to obtain a comprehensive understanding of the data, Scopus searched three variables in each record: (1) the author’s name, (2) the journal name in which the paper was published, and (3) the total number of citations. Bibliometric analysis was used as part of the analysis. To gain a thorough and accurate comprehension, the data was analyzed and interpreted using a variety of data triangulation techniques. Building distance-based co-occurrence networks for bibliometric analysis and synthesis was carried out using the VOS viewer software. The classification and grouping of the terms derived from titles, abstracts, and keywords were carried out based on their degree of interconnectedness. The terms “Serve Dynamics in Tennis”, “Kinetic Analysis in Tennis serve”, “Kinematic Analysis in Tennis serve”, and “Flat and Topspin serve in Tennis” are frequently used in the study, although their meanings are generally interpreted differently. The search yielded 125 papers and 2807 citations, which were used in the study conducted from 2001 to 2024. Results. The study’s findings revealed the primary authors, countries, and subject areas that contribute to a comprehensive understanding of research patterns, influential studies, authorship dynamics, thematic clusters, and international collaborations in the analysis of the kinetics and kinematics for flat and topspin serves in tennis. Conclusions. The study concludes by consolidating current information and identifying potential avenues for broadening the interdisciplinary scope of tennis serve research.

Restructuring the interfacial active sites to generalize the volcano curves for platinum-cobalt synergistic catalysis

Computationally derived volcano curve has become the gold standard in catalysis, whose practical application usually relies on empirical interpretations of composition or size effects by the identical active site assumption. Here, we present a proof-of-concept study on disclosing both the support- and adsorbate-induced restructuring of Pt-Co bimetallic catalysts, and the related interplays among different interfacial sites to propose the synergy-dependent volcano curves. Multiple characterizations, isotopic kinetic investigations, and multiscale simulations unravel that the progressive incorporation of Co into Pt catalysts, driven by strong Pt-C bonding (metal-support interfaces) and Co-O bonding (metal-adsorbate interfaces), initiates the formation of Pt-rich alloys accompanied by isolated Co species, then Co segregation to epitaxial CoOx overlayers and adjacent Co3O4 clusters, and ultimately structural collapse into amorphous alloys. Accordingly, three distinct synergies, involving lattice oxygen redox from Pt-Co alloy/Co3O4 clusters, dual-active sites engineering via Pt-rich alloy/CoOx overlayer, and electron coupling within exposed alloy, are identified and quantified for CO oxidation (gas-phase), ammonia borane hydrolysis (liquid-phase), and hydrogen evolution reaction (electrocatalysis), respectively. The resultant synergy-dependent volcano curves represent an advancement over traditional composition-/size-dependent ones, serving as a bridge between theoretical models and experimental observations in bimetallic catalysis.

Kinetic Investigation of the Emulsion Polymerization of Vinylidene Fluoride

AbstractPoly(vinylidene fluoride) (PVDF) is among the most produced fluoropolymers, second only to polytetrafluoroethylene. Despite its popularity, the complex microstructural properties achieved during the polymerization are not well documented in the literature. In particular, available models only track the chain length distribution of the polymer, while neglecting the distribution of other important properties, affecting the final behavior of the product. In this work, a 2D kinetic model, evaluating not only the chain length but also the number of terminal double bonds (TDBs) per chain, is developed. The numerical solution of the model is achieved by fractionating the population of polymer chains into classes with a specific number of TDBs and using the method of moments for each class. The model results are compared with experimental evidences for the amount of produced polymer, moles of main chain‐ends, number, and weight average molecular weight as well as full molecular weight distribution. Based on this comparison, kinetic parameters are estimated by optimization using genetic algorithm. The model reliability is finally verified using additional experimental data at different temperatures and amounts of initiator.

Investigation of dissolution kinetics of colemanite in propionic acid solutions

ABSTRACT Colemanite is one of the raw materials used to produce boron compounds which have a constituent of the richest composition ratio boron trioxide ( B 2 O 3 ) . The main purpose of this study is to investigate the dissolution kinetics of colemanite in a propionic acid solution. Reaction temperature, solid–liquid ratio, propionic acid concentration, stirring speed, and particle size were chosen as relevant parameters in the dissolution. According to the results of the study, the dissolution rate was directly proportional to the rise in the reaction temperature and inversely proportional to the increase in the solid–liquid ratio, acid concentration, and particle size. Additionally, it was observed that stirring speed did not significantly effect. Experiment results were correlated with the use of the Statistica10 software programme for linear regression. For the dissolution kinetics of colemanite, a model that can control the reaction was obtained by using homogeneous and heterogeneous reaction models. It was determined that the dissolution rate of the process was controlled by diffusion through the product film (ash) and the Activation energy was calculated as 37.51 kJ . mo l − 1 . Experimental data were analyzed with graphical and statistical methods, and a semi-empirical mathematical model was determined, which included the parameters of the study.

Efficient selective hydrogenation of phenylacetylene over Pd-based rare earth dual-atomic catalysts

Selective hydrogenation of phenylacetylene to styrene plays a vital role in fine chemical synthesis with palladium (Pd)-based catalysts as the active components and usually suffered from low selectivity due to over-hydrogenation and low stability through polymerization (c.a. green oil generation). In this work, we found that by confining the Pd atom within a Pd-Ln (Ln: rare earth elements, such as Y, Lu, etc. ) diatomic structure [diatomic catalyst (DAC)], the reaction performance of selective hydrogenation of phenylacetylene has been greatly promoted, in which 92% styrene selectivity has been determined at 100% phenylacetylene conversion. This would be attributed to the diatomic structure established, which was achieved by introducing Pd-Ln precursors and confirmed by high-angle annular dark-field scanning transmission electron microscopy (HAADF-STEM) and X-ray adsorption fine structure (XAFS) characterizations and it was demonstrated that slight electron transfer from Ln to the adjacent isolated Pd makes it slightly negatively charged and facilitated the styrene formation. Besides, a Langmuir-Hinshelwood model was established to describe the whole reaction mechanism. After a systematic kinetic investigation, it suggests that the C8H6* + H* elementary step is probably the kinetically relevant for the whole reaction and the surface of the catalyst is mainly covered by C8H6*. The energy relationship of each step along phenylacetylene hydrogenation was quantitatively described by means of parity fitting and gas isothermal adsorption, providing insights into the selective hydrogenation of phenylacetylene over 0.02%Pd-Ln/C (Ln = Y/Lu) catalysts and pave the way of catalytic design at the atomic level.

Hybrid composite beads of chitosan/graphene oxide for dye adsorption: characterizations, kinetic modeling and toxicity study

The current study aimed to the preparation of graphene oxide impregnated chitosan– polyvinyl alcohol hybrid beads (GO/CS-PVA) for the removal of Reactive Black 5 (RB5) dye from wastewater solutions, presenting them as a cost-effective alternative for wastewater treatment. These hybrid beads were fabricated using a dripping technique in an aqueous solution. The surface and structure of the material before and after adsorption process were studied by analyzing FTIR spectroscopy and Scanning electron microscope (SEM) as well as adsorption capacity was also evaluated. The results proved the successful synthesis of GO/CS-PVA beads and elucidated the physical adsorption mechanism of RB5. SEM images revealed uniform spherical beads with a rough surface, approximately 752 μm in diameter. Additionally, the evaluation of adsorption capacity showed that the optimum condition for RB5 adsorption is at pH = 3 while the kinetic investigations revealed that the adsorption process adhered to the pseudo-second-order model, indicating a chemisorption reaction. Furthermore, an increase in temperature from 25 to 65 °C enhanced the maximum adsorption capacity of GO/CS-PVA beads by 34%. The cytotoxic effect of the hybrid as measured on adipose derived stem cells via the MTT assay was negligible. In conclusion, it was proved that the eco-friendly GO/CS-PVA beads adsorbents can efficiently remove RB5 from wastewater in practical applications.

Metal Cocatalyst Engineering in Metal-Semiconductor Hybrid Photocatalysts Achieves a Fivefold Enhancement of Hydrogen Evolution.

This study explores the optimal morphology of photochemical hydrogen evolution catalysts in a one-dimensional system. Systematic engineering of metal tips on precisely defined CdSe@CdS dot-in-rods is conducted to exert control over morphology, composition, and both factors. The outcome yields an optimized configuration, a Au-Pt core-shell structure with a rough Pt surface (Au@r-Pt), which exhibits a remarkable fivefold increase in quantum efficiency, reaching 86 % at 455 nm and superior hydrogen evolution rates under visible and AM1.5 G irradiation conditions with prolonged stability. Kinetic investigations using photoelectrochemical and time-resolved measurements demonstrate a greater extent and extended lifetime of the charge-separated state on the tips as well as rapid water reduction kinetics on high-energy surfaces. This approach sheds light on the critical role of cocatalysts in hybrid photocatalytic systems for achieving high performance.

Optimization of Gelatin-based 3D hydrogel scaffold for effective removal of Methylene Blue and Alizarin Red S from aqueous solutions and food samples: kinetic and isotherm investigations

Optimization of Gelatin-based 3D hydrogel scaffold for effective removal of Methylene Blue and Alizarin Red S from aqueous solutions and food samples: kinetic and isotherm investigations

Modeling Kinetics and Transport Mechanism Study of Poorly Soluble Drug Formulation in High Acidic Medium

Some medicinal particles are poorly soluble in highly acidic solutions, particularly those subjected to various production processes. Therefore, the present research investigated the kinetics and mechanisms of the drug release rate of newly formulated solid pills in a low pH medium. Three pills were prepared: one from a non-moisturized powder mixture (PILD) and the other two, PILC and PILM, from the dried powder mixtures, which were dried using hot-air heating and microwave radiation, respectively. These pills were subjected to drug release tests, and the outcomes were considered in the kinetics investigation using various models. Zero-order, Hixson–Crowell, First-order, Higuchi, Hopfenberg, Korsmeyer-Peppas, Logistic, and Peppas-Sahlin were the kinetic models used to inspect the release rate mechanism of these tablets. It was found that the Peppas-Sahlin and zero-order were the most reliable models to represent the drug release profile of all prepared pills with very high accuracy, estimated by R^2>0.99. The Hixon and first-order models were the weakest to characterize this work outcome. This work also applied these models to describe the controlling mechanism of the drug release for each prepared pill. It is detected that the non-Fickian diffusion and polymer chain relaxation control the PILC’s release behavior. However, case II transport and super case II transport with erosions is the dominant mechanism for PILD and PILM pills, respectively. Additionally, new semi-empirical models were modified to describe the kinetics of the solid release of those tablets with greater accuracy.

Removal of cefuroxime from aqueous solution by biochars derived from antibiotic mycelial residue.

In China, antibiotic mycelial residue is categorized as hazardous waste. To achieve the harmless and resourceful disposal of cephalosporin, three types of biochars from cephalosporin mycelia residues, namely non-activated carbon (BC1), ZnCl2-activated carbon (BC2), and KOH-activated carbon (BC3), were respectively fabricated by high-temperature pyrolysis carbonization technology. These three kinds of biochars were characterized via iodine value, FTIR, and SEM, and the adsorption performance of the prepared biochars was investigated using cefuroxime (CXM) as the adsorption target. The results indicated that BC3 biochar possesses the most well-developed pores and the highest iodine value of 1367.41 mg/g; The most suitable dosage is 1.6 g/L, and the lower the pH, the more favorable the adsorption effect. The investigation of adsorption kinetics revealed that it conformed to the kinetic model of pseudo-second order, as well as the process of adsorption was governed by the chemical adsorption mechanism, the rate of adsorption was affected by the collective impact of the quantity of active sites present and the interaction strength between the CXM molecules and the biochar. The exploration of adsorption thermodynamics revealed that it aligned with the Langmuir model, the surface of biochar was relatively uniform, and the adsorption was mainly of low coverage; The calculation of thermodynamic parameters demonstrated that the adsorption was exothermic and spontaneous.

Fabrication of two novel two-dimensional copper-based coordination polymers regulated by the “V”-shaped second auxiliary ligands as high-efficiency urease inhibitors

Two novel copper-based coordination polymers (Cu-CPs) had been presented based on mixed ligands. The synthetic Cu-CP-1 and Cu-CP-2 were derived from a combination of two distinct forms of “V”-shaped bis-pyridine-bis-amide ligands and 1,2,4-benzenetricarboxylic acid (1,2,4-H3BTC). Distinct grid windows were seen in the simplified two-dimensional (2D) layers of the Cu-CPs due to the variable length of ligand regulation. These Cu-CPs had the potential to act as urease inhibitors (UIs), and the mechanisms responsible for their inhibition were extensively studied. The results indicated that both Cu-CPs exhibited significant urease inhibitory activities with urease inhibition rates of 88.02 % and 88.87 % at 100 µM and semi-inhibitory levels of IC50 of 0.92 ± 0.05 µM and 0.87 ± 0.03 µM, respectively. Furthermore, the inhibitory activities of the Cu-CPs were higher than those of the standard thiourea. An investigation of the enzyme kinetics of the Cu-CPs using Lineweaver–Burk (L–B) plots at various inhibitor doses demonstrated their non-competitive inhibitory nature, enhancing our comprehension of the possible mechanism by which these Cu-CPs exert urease inhibition. Furthermore, molecular docking was used to verify the interactions between Cu-CPs and the urease active site. The findings of the urease inhibition studies were good, and the impact of Cu-CP complexes on urease inhibition was examined using density functional theory (DFT) simulations.

Nitrogen doped TIO2/g-C3N4 nanocatalyst for photodegradation of methylene blue dye

In this study, the ethanol dispersion procedure was implemented to prepare the g-C3N4/N–TiO2 nanocatalyst structure. Sol-gel synthesis is utilized for synthesizing N–TiO2 and g-C3N4 via urea thermal decomposition. Physicochemical properties of produced photocatalysts were revealed using PL imaging, UV–vis DRS, XRD, FTIR, SEM, BET, and TEM. Evaluation of photocatalytic activity of synthetic photocatalysts by exposure to sunlight and degradation of methylene blue (MB) dye. g-C3N4/N–TiO2 NCs showed excellent photocatalytic activity, reaching 96 % MB degradation efficiency in 80 min. g-C3N4 and N–TiO2 doped form a nanocomposite structure that increases photocatalytic activity, affecting charge separation performance and service life. The system also exhibits the ability to collect visible and ultraviolet light. Even after four consecutive cycles, the efficiency of the MB is still above 85 %. Capture experiments showed that the decomposition of MB was mainly caused by h+ and O22− radicals. The results of kinetic investigations indicate that the degradation rate of g-C3N4/N–TiO2 nanocomposites surpasses that of N–TiO2 nanoparticles.

Enhanced syngas production through dry reforming of methane with Ni/CeZrO2 catalyst: Kinetic parameter investigation and CO2-rich feed simulation

Natuna's natural gas reserve, which contains 70 %–v CO2 and 30 %–v CH4, opens a prospective method for producing syngas through the dry reforming of methane (DRM). This study used the equation and determination of kinetic parameters in a fixed-bed reactor to develop the operating conditions for the DRM process. The catalyst used was 10 %Ni/CeZrO2 and followed the Langmuir-Hinshelwood mechanism, with CH4 dissociation (activation of C–H bonds) on the Ni catalyst as the rate-determining step. According to the results, the simulation and experimental data have error values of ≤ 5 % and RMSE < 0.046. This indicates that the equation and kinetic parameters used in the simulation are valid for reactor modeling. Steady-state modeling was then conducted using a 1D quasihomogeneous model. The feed composition of CO2:CH4 = 70:30 (Natuna gas field composition) has optimized results with temperature 700 °C, CH4 conversion at 92 %, CO2 conversion at 28 %, and H2/CO ratio 1.42, and carbon formation at 7.1 mgC/gcat. This study also found that a higher CO2:CH4 feed ratio could reduce carbon formation during DRM.

Reactivity tuning of metastable intermolecular composite Al/PFOA by polydopamine interfacial control

Controlling the high reactivity resulting from interfacial contact between nanoscale components poses a significant challenge. This study introduces an approach utilizing an aluminum (Al) surface-modified material to regulate the interaction between Al and perfluorooctanoic acid (PFOA), employing an in-situ synthesized polydopamine (PDA) interfacial layer. The optimal ratio was determined through molecular dynamics simulations. Various characterization techniques, including scanning electron microscopy (SEM), energy dispersive spectroscopy (EDS), transmission electron microscopy (TEM), X-ray diffraction (XRD), Fourier transform infrared spectroscopy (FTIR), and X-ray photoelectron spectroscopy (XPS), were employed to comprehensively analyze the structure and elemental distribution of the samples. The findings indicate that the PDA coating process did not alter the surface structure of Al while maintaining the integrity of the functional groups of both PDA and PFOA. Results from simultaneous thermal analysis (TG-DSC) demonstrate that the PDA interfacial layer increased the pre-ignition reaction (PIR) peak temperature of PFOA/Al by 2 °C and enhanced the heat release of the PIR and fluorination reaction by 1.3 and 34.8 times, respectively. Thermal analysis kinetics investigation revealed a reduction of 6.66 kJ⋅mol−1 in the activation energy of the fluorination reaction and an increase of 20.28 kJ⋅mol−1 in the activation energy of the PIR. Furthermore, the combustion heat and reaction degree of PFOA/Al@PDA powder increased by 43.4 % and approximately 8 %, respectively, compared to PFOA/Al powder generated by physical mixing. This study demonstrated that the inclusion of PDA modifiers in the PFOA/Al system effectively controls the exothermic reaction between fuel and oxidant and enhances the oxidation degree of Al.

Characterization optimization of synthesis Chitosanclay/benzoin/Fe3O4 composite for adsorption of Thionine dye by design expert study

A novel composite material, magnetic chitosan-clay/benzoin/Fe3O4 (CS-CY/Benz/Fe3O4), was synthesized for effectively removing thionine dye (TH) from water solutions. The structural integrity and suitability of CS- CY/Benz/Fe3O4 composite for adsorption purposes were validated through extensive characterization techniques including BET, XRD, FTIR, and SEM. The adsorption efficiency was optimized through a Box–Behnken design (BBD) employing response surface methodology (RSM), focusing on variables such as adsorbent dose (A: 0.02–0.08 g), solution pH (B: 4–10), temperature (C: 30–60 °C), and time (D: 5–30 min). Experimental results revealed a maximum TH removal of 99% with significant interactions between temperature (C) and time (D) (p-value = 0.0001). The optimal conditions for TH removal were determined as pH ~ 5.91, adsorbent dosage of 0.08 g, temperature of 54.34 °C, and time of 29.7 min. The investigation of kinetics revealed that the adsorption process conformed to a pseudo-second-order (PSO) model, while the equilibrium data were effectively described by the Freundlich isotherm model. At a temperature of 333.15 K and a TH concentration of 350 mg/L, the adsorption capacity was determined to be 660.86 mg/g. The mechanism of adsorption encompassed various interactions such as electrostatic attractions, n–π interactions, hydrogen bonding, and Yoshida H-bonding. Particularly, the CS-CY/Benz/Fe3O4 composite demonstrated strong magnetic responsiveness, enabling straightforward separation from water using an external magnetic field after adsorption. Particularly, the CS-CY/Benz/Fe3O4 composite demonstrated strong magnetic responsiveness, enabling straightforward separation from water using an external magnetic field after adsorption. This research contributes important findings to the advancement of magnetic chitosan-based composites for efficient removal of TH dye pollutants from water environments.

Ecofriendly k-Carrageenan-Based Hydrogel with Strong Adsorption and Higher Abilities to Remove Crystal Violet from Aqueous Solution: Thermodynamic, Isotherm and Kinetic Investigation

Ecofriendly k-Carrageenan-Based Hydrogel with Strong Adsorption and Higher Abilities to Remove Crystal Violet from Aqueous Solution: Thermodynamic, Isotherm and Kinetic Investigation

Surface coating engineering of titanate anodes based on tannic acid-formaldehyde polymer chelating bismuth ions for advanced sodium-ion capacitors

As a battery-type anode material for sodium ion capacitors (SICs), titanate (H2Ti2O5·H2O, HTO) exhibits good rate capability due to its layered structure, easy to insert Na+ ions and low potential during sodium-ion storage. However, the structure is unstable due to the lattice distortion resulting from the irreversible embedment of Na+ in the process of sodium storage. So there is a significant mismatch between the dynamic reaction of the HTO anode and the capacitive cathode. Surface coating engineering is a useful strategy for stabilizing the HTO structure, which is critical for improving the kinetic response. In this work, a surface coating technique is designed to enhance the surface of HTO nanoarrays on titanium foil by using the oligomers of tannic acid formaldehyde polymer (TAF) chelated Bi3+ ions (Bi-TAF). As a binder-free anode, HTO coated with Bi-TAF (HTO@Bi-TAF) exhibits more excellent capacity (335.2 mA h g−1, 0.1 A g−1), rate capability (212.3 mA h g−1, 2.0 A g−1), and cycle stability (97 % capacity maintenance following 2000 cycles at 1.0 A g−1) than HTO and HTO coated with TAF (HTO@TAF). At the sweep rate of 1.0 mV s−1, the kinetic investigation reveals that the capacitance contribution of HTO@Bi-TAF is 86 %. The SICs exhibit a significant energy/power density (89.4 Wh kg−1/250 W kg−1). This work shows that the Bi-TAF polymer coating has a dual effect of rate capability improvement and structural protection on the prepared HTO. This results in a reasonable and effective surface coating strategy that provides outstanding rate capability and extended cycle performance of titanium-based anode materials for SICs.

Phase change materials as hydrogen explosion suppressants: An experimental and kinetic investigation

To investigate the potential application of phase change materials as H2 explosion suppressants, in the present work, the inhibition effect of Na2HPO4·12H2O, K2HPO4·3H2O, and Na2CO3·10H2O on H2 explosion were experimentally studied. The corresponding explosion suppression mechanism was calculated by using a comprehensive combustion model. Results showed that the selected phase change materials inhibited the H2 explosion, and Na2CO3·10H2O has the most significant effect for fuel-lean H2-air mixtures when 12 g was added. Of which the maximum explosion pressure (Pmax) and maximum rate of pressure rise (dp/dt)max were reduced by 26.6 % and 28.1 %, and maximum pressure increase time (tb) and peak pressure time(tc) were increased by 112.2 % and 120.3 %. The inhibition mechanism of Na2CO3·10H2O on H2 was revealed by numerical simulation. The adiabatic flame temperature (AFT) and laminar burning velocity (LBV) of H2-air mixture decrease with increasing hydrated salt addition, the free radicals H, O and OH have a decisive influence on the explosion process during which H decreases by 86.4 % at most. The chain initial reaction O + H2 ⇌ H + OH and the sodium-containing primitive reaction NaO + H + M ⇌ NaOH + M have the most significant influence on the combustion processes. The results of present work give a theoretical foundation for application the phase change materials in H2 explosion safety industry.