Degree Of Conversion Research Articles

Effects of graphene organic iron nanocomplex on the pyrolysis and laser ignition performance of TKX-50

Novel graphene iron tannate and graphene iron gallate nanocomplex (G-D-Fe and G-M-Fe) were designed, prepared and characterized by SEM, EDS, FTIR, RAMAN and XPS equipment. The catalytic property of the G-D-Fe and G-M-Fe for energetic TKX-50 was explored by DSC, kinetic calculation and laser ignition. The synthesized G-D-Fe and G-M-Fe present a positive impact on pyrolysis and ignition combustion of TKX-50, resulting in the significantly reduced decomposition temperature, activation energy (Ea) and ignition delay time. After adding G-D-Fe (G-M-Fe), the first and second decomposition peak temperatures (TFDP and TSDP) of TKX-50 were decreased by 42.3 °C (43.9 °C) and 45.0 °C (49.6 °C), respectively. At the conversion degree of 0.2~0.8, the nonlinear kinetic data showed that after adding G-D-Fe and G-M-Fe, the Ea of TKX-50 decreased from 163.5 to 141.3 and 145.4kJ·mol-1 respectively. Additionally, after adding G-D-Ni and G-M-Ni, the laser ignition delay time of TKX-50 was reduced from 58 ms to 26 ms and 28 ms, respectively. The possible catalytic mechanism of preferred combustion catalyst G-D-Fe was disclosed by in-situ FTIR and gas-phase MS-FTIR analysis. The results are helpful to broaden the catalysts for pyrolysis and ignition combustion of TKX-50 and to disclose the catalytic mechanism.

Effects of carbonization temperature and time on the characteristics of carbonized sludge

Abstract To investigate the influence of carbonization process parameters on the characteristics of municipal sludge carbonization products, this study selected carbonization temperatures of 300–700 °C and carbonization times of 0.5–1.5 h to carbonize municipal sludge. The results showed that with an increase in temperature and carbonization time, the sludge was carbonized more completely, and the structure and performance characteristics of the sludge changed significantly. Organic matter was continuously cracked, the amorphous nature of the material was reduced, its morphology was transformed into an increasing number of regular crystalline structures, and the content of carbon continued to decrease, from the initial 52.85 to 38.77%, while the content of inorganic species consisting continued to increase. The conductivity was reduced by 87.8%, and the degree of conversion of salt ions into their residual and insoluble states was significant. Natural water absorption in the sludge decreased from 8.13 to 1.29%, and hydrophobicity increased. The dry-basis higher calorific value decreased from 8,703 to 3,574 kJ/kg. Heavy metals were concentrated by a factor of 2–3, but the content of the available state was very low. The results of this study provide important technological support for the selection of suitable carbonization process conditions and for resource utilization.

Antibacterial Properties of an Experimental Dental Resin Loaded with Gold Nanoshells for Photothermal Therapy Applications

This study explored the chemical and antibacterial properties of a dental resin loaded with gold nanoshells (AuNPs) in conjunction with photothermal therapy (PTT) as a novel method against Streptococcus mutans (S. mutans) to prevent secondary caries. First, a 20-h minimum inhibitory concentration (MIC) assay was performed on solutions of AuNPs with planktonic S. mutans under an LED device and laser at 660 nm. Next, resin blends containing 0, 1 × 1010, or 2 × 1010 AuNPs/mL were fabricated, and the degree of conversion (DC) was measured using an FTIR spectroscopy. Lastly, a colony forming unit (CFU) count was performed following 24 h growth of S. mutans on 6 mm diameter resin disks with different light treatments of an LED device and a laser at 660 nm. The MIC results only showed a reduction in S. mutans at AuNP concentrations less than 3.12 µg/mL under a laser illumination level of 95.5 J/cm2 compared to the dark treatment (p < 0.010 for each). CFU and DC results showed no significant dependence on any light treatment studied. The AuNPs expressed antibacterial effects following PPT against planktonic S. mutans but not in a polymerized dental adhesive resin. Future studies should focus on different shapes, structure, and concentrations of AuNPs loaded in a resin blend.

Aluminum zirconate nanoparticles in etch and rinse adhesive to caries affected dentine: An in-vitro scanning electron microscopy, elemental distribution, antibacterial, degree of conversion and micro-tensile bond strength assessment.

To incorporate different concentrations of Al2O9Zr3 (1%, 5%, and 10%) nanoparticles (NP) into the ER adhesive and subsequently assess the impact of this addition on the degree of conversion, μTBS, and antimicrobial efficacy. The current research involved a wide-ranging examination that merged various investigative techniques, including the application of scanning electron microscopy (SEM) for surface characterization of NP coupled with energy-dispersive x-ray spectroscopy (EDX), Fourier-transform infrared (FTIR) spectroscopy, μTBS testing, and microbial analysis. Teeth were divided into four groups based on the application of modified and unmodified three-step ER adhesive primer. Group 1 (0% Al2O9Zr3 NPs) Control, Group 2 (1% Al2O9Zr3 NPs), Group 3 (5% Al2O9Zr3 NPs), and Group 4 (10% Al2O9Zr3 NPs). EDX analysis of Al2O9Zr3 NPs was performed showing elemental distribution in synthesized NPs. Zirconium (Zr), Aluminum (Al), and Oxides (O2). After primer application, an assessment of the survival rate of Streptococcus mutans was completed. The FTIR spectra were analyzed to observe the characteristic peaks indicating the conversion of double bonds, both before and after the curing process, for the adhesive Etch and rinse containing 1,5,10 wt% Al2O9Zr3 NPs. μTBS and failure mode assessment were performed using a Universal Testing Machine (UTM) and stereomicroscope respectively. The μTBS and S.mutans survival rates comparison among different groups was performed using one-way ANOVA and Tukey post hoc (p = .05). Group 4 (10 wt% Al2O9Zr3 NPs + ER adhesive) specimens exhibited the minimum survival of S.mutans (0.11 ± 0.02 CFU/mL). Nonetheless, Group 1 (0 wt% Al2O9Zr3 NPs + ER adhesive) displayed the maximum surviving S.mutans (0.52 ± 0.08 CFU/mL). Moreover, Group 2 (1 wt% Al2O9Zr3 NPs + ER adhesive) (21.22 ± 0.73 MPa) samples displayed highest μTBS. However, the bond strength was weakest in Group 1 (0 wt% Al2O9Zr3 NPs + ER adhesive) (14.13 ± 0.32 MPa) study samples. The etch-and-rinse adhesive exhibited enhanced antibacterial activity and micro-tensile bond strength (μTBS) when 1% Al2O9Zr3 NPs was incorporated, as opposed to the control group. Nevertheless, the incorporation of Al2O9Zr3 NPs led to a decrease in DC. RESEARCH HIGHLIGHTS: 10 wt% Al2O9Zr3 NPs + ER adhesive specimens exhibited the minimum survival of S.mutans. 1 wt% Al2O9Zr3 NPs + ER adhesive samples displayed the most strong composite/CAD bond. The highest DC was observed in Group 1: 0 wt% Al2O9Zr3 NPs + ER adhesive.

Assessment of physical properties of bioactive glass-modified universal multimode adhesive and its bonding potential to artificially induced caries affected dentin

BackgroundTo evaluate the physical properties of bioactive glass-modified universal multimode adhesive and its micro-tensile bond strength (µTBS) to artificially induced caries-affected dentin.MethodsAll bond universal adhesive was used in the study. Specimens were divided into 2 main groups: control unmodified adhesive and 5 wt% BAG modified adhesive. The degree of conversion, pH, bioactivity, and viscosity of the adhesives were tested with n = 5 for each test. Micro-tensile bond strength evaluation was done in etch & rinse (ER) and selective-etch (SE) modes, where 24 human molar teeth were used (n = 3), 12 teeth for immediate bond strength, and the other 12 were tested after 6 months of storage in simulated body fluid (SBF).ResultsNo significant difference was found between the control and the 5wt% BAG groups regarding the degree of conversion (61.01 ± 0.43 and 60.44 ± 0.61 respectively) and the viscosity (109.77 ± 22.3 and 124.3 ± 9.92 respectively). The control group revealed significantly lower pH values than the 5wt% BAG group (3.16 ± 0.5 and 4.26 ± 0.09 respectively). Immediate bond strength results revealed that the 5wt% BAG in the ER mode had the highest bond strength followed by the control group in the ER mode (44.16 ± 7.53 and 44.00 ± 7.96 respectively). SE groups showed that the immediate strength of the 5wt% BAG group was higher than the control group (42.09 ± 6.02 and 39.29 ± 6.64 respectively). After 6 months of storage, bond strength results revealed a decrease in bond strength values for the control groups but not for the 5wt% BAG in both application modes.ConclusionsThe incorporation of BAG (5wt%) improved the universal adhesive micro-tensile bond strength and bond durability for both adhesive application modes without affecting its degree of conversion or viscosity.

Toxicity and cytokine release from human dental pulp stem cells after exposure to universal dental adhesives cured by single peak and polywave LEDs

Objectivesto assess the impact of universal adhesives, cured with single-peak and polywave LEDs, on the metabolic activity and cytokine release of human dental pulp stem cells (hDPSCs). In addition, analyze the degree of conversion (DC) of the adhesives cured with the different LEDs. MethodsDiscs (5 mm diameter, 1 mm thick) were prepared using three universal adhesives: Single Bond Universal (SBU, 3 M ESPE), Optibond Universal (OBU, Kerr), and Zipbond Universal (ZBU, SDI). These discs were cured for 40 s using a single-peak (DeepCure, 3 M ESPE) or a polywave light-emmiting diode (LED) curing unit (Valo Grand, Ultradent). After 24 h, the specimens were placed in 24-well culture plates, each containing 1 mL of culture medium for 24 h. hDPSCs (1.8 ×104) were seeded in 96-well plates and allowed to grow for 24 h. Subsequently, the cells were exposed to the extracts (culture medium containing eluates from the adhesive discs) for an additional 24 h. Cells not exposed to the extracts were used as a control group. The mitochondrial metabolism was assessed using the MTT assay and the cytokine release evaluated through MAGPIX. The degree of conversion of the adhesives was analyzed using FTIR (n = 5). The results were analyzed by ANOVA two-way and Tukey’s test. ResultsOBU and ZBU eluates caused a statistically significant reduction in mitochondrial metabolism, regardless of the LED used, indicating their cytotoxicity. In contrast, SBU did not significantly affect the MTT results, resembling the control group. A higher release of cytokines IL-1, IL-6, IL-10, and TNF-α were found in association to ZBU. SBU, on the other hand, increased the release of IL-8. OBU did not influenced the cytokine release. SBU presented the higher DC, while OBU and ZBU had similar DC, lower than SBU. SignificanceIn conclusion, universal adhesives exhibit toxicity towards hDPSCs, but the extent of toxicity varies depending on the adhesive material. ZBU was associated with increased cytokine release, particularly pro-inflammatory mediators, from hDPSCs. The different LEDs did not influenced the cytotoxicity of the evaluated adhesives.

Formulation of arginine-loaded mesoporous silica nanoparticles (Arg@MSNs) modified orthodontic adhesive

The objective of this study was to synthesize arginine loaded mesoporous silica nanoparticles (Arg@MSNs), develop a novel orthodontic adhesive using Arg@MSNs as modifiers, and investigate the adhesive performance, antibacterial activity, and biocompatibility. Arg@MSNs were synthesized by immobilizing arginine into MSNs and characterized using transmission electron microscope (TEM), dynamic light scattering (DLS), and Fourier Transform Infrared Spectrometer (FT-IR). Arg@MSNs were incorporated into Transbond XT adhesive with different mass fraction to form functional adhesives. The degree of conversion (DC), arginine release behavior, adhesive performance, antibacterial activity against Streptococcus mutans biofilm, and cytotoxicity were comprehensively evaluated. TEM, DLS, and FT-IR characterizations confirmed the successful preparation of Arg@MSNs. The incorporation of Arg@MSNs did not significantly affect DC and exhibited clinically acceptable bonding strength. Compared to the commercial control, the Arg@MSNs modified adhesives greatly suppressed the metabolic activity and polysaccharide production while increased the biofilm pH values. The cell counting kit (CCK)-8 test indicated no cytotoxicity. The novel orthodontic adhesive containing Arg@MSNs exhibited significantly enhanced antibacterial activities and inhibitory effects on acid production compared to the commercial adhesive without compromising their bonding strength or biocompatibility. The novel orthodontic adhesive containing Arg@MSNs exhibits potential clinical benefits in preventing demineralization of enamel surfaces around or beneath orthodontic brackets due to its enhanced antibacterial activities and acid-producing inhibitory effects.

Investigating the activity of modified TiO2 photocatalysts used for the photoreforming of biomass derivatives

Different TiO2 modified (with Pt, Cu2O, Nb) photocatalysts have been compared for the photo-reforming of glucose and fructose at ambient conditions with the aim of linking the photoactivity to some structural and surface characteristics. A different degree of conversion, distribution of intermediates and H2 production were observed with the various photocatalysts. Moreover, the results obtained with the same catalysts were slightly different with the two substrates, highlighting the importance of the interaction between the catalyst surface and the organic compound. Bare TiO2 was inactive towards H2 production, Cu2O was effective in replacing Pt for hydrogen generation, and the presence of Pt/Nb was beneficial for both H2 production and selective oxidation. Moreover, Pt not only works as a sink for the photoproduced electrons, as it is well known in the literature, but also modifies the surface acid-base properties of catalysts as revealed by DRIFT and TPD measurements.

Influence of Thickness of Endocrown and Ceramic Translucency on The Degree of Conversion of Resin Cement (In Vitro Study)

Influence of Thickness of Endocrown and Ceramic Translucency on The Degree of Conversion of Resin Cement (In Vitro Study)

Mathematically correct application of integral isoconversional method

Here we suggest that integral isoconversional method, when applied in a mathematically correct way, can lead to satisfactory results with the least number of adjustable parameters. Differential and incremental methods are used in cases when the apparent activation energy, E, varies with the degree of conversion, α. However, in some cases the observed E(α) dependence can spuriously be induced by small variations in α(T) curves and there is only little to no benefit gained from allowing arbitrary change of E between adjacent conversion levels. As a result, the E(α) dependences are highly “fragile” and subject to minor variations in the experimental data. On the other hand, when the activation energy is optimized globally for all isoconversional levels, a significantly more robust estimate is obtained and the agreement between the experimental and simulated data is still plausible. The approach is demonstrated on two datasets which were evaluated with both variable E(α) dependence and with constant value of E.

The Antimicrobial Effects of Myrosinase Hydrolysis Products Derived from Glucosinolates Isolated from Lepidium draba.

Lepidium draba (hoary cress) is a perennial plant belonging to the Brassicaceae family that produces two dominant glucosinolates (GLSs): glucoraphanin (GRN) and sinalbin (SBN). They represent the stored form, which is converted upon the myrosinase (Myr) hydrolysis activity to active compounds, mainly isothiocyanates (ITCs) such as sulforaphane (SFN) or p-hydroxybenzyl isothiocyanate (pHBITC). Research on ITCs that have proven anticancer, antimicrobial, and chemoprotective properties is usually conducted with pure commercially available compounds. However, these are chemically reactive, making it difficult to use them directly for preventive purposes in dietary supplements. Efforts are currently being made to prepare dietary supplements enriched with GLS and/or Myr. In this study, we report a simple but efficient chromatographic procedure for the isolation and purification of GLSs from MeOH extract from hoary cress based on a combination of ion exchange and gel permeation chromatography on DEAE-Sephadex A-25 and Sephadex LH-20. To obtain the Myr required for efficient hydrolysis of GLSs into antibacterial ITCs, we developed a rapid method for its extraction from the seeds of Lepidium sativum (garden cress). The yields of GLSs were 22.9 ± 1.2 mg GRN (purity 96%) and 10.4 ± 1.1 mg SBN (purity 92%) from 1 g of dry plant material. Both purified GLSs were used as substrates for the Myr. Analysis of the composition of hydrolysis products (HPs) revealed differences in their hydrolysis rates and in the degree of conversion from GLSs to individual ITCs catalyzed by Myr. When GRNs were cleaved, SFNs were formed in an equimolar ratio, but the formation of pHBITCs was only half that of cleaved SBNs. The decrease in pHBITC content is due to its instability compared to SFN. While SFN is stable in aqueous media during the measurement, pHBITC undergoes non-enzymatic hydrolysis to p-hydroxybenzyl alcohol and thiocyanate ions. Testing of the antimicrobial effects of the HPs formed from GRN by Myr under premix or in situ conditions showed inhibition of the growth of model prokaryotic and eukaryotic microorganisms. This observation could serve as the jumping-off point for the design of a two-component mixture, based on purified GLSs and Myr that is, usable in food or the pharmaceutical industry in the future.

Transforming desertification patterns in Asia: Evaluating trends, drivers, and climate change impacts from 1990 to 2022

Owing to the combined effects of climate change and human activities, the type of desertification in the arid regions of Asia has undergone profound changes, and the problem of desertification has become increasingly prominent. To help address this problem, this study clarifies the transformation trends and characteristics of desertification types across Asia and discusses key areas for desertification prevention and control. Based on a series of Landsat satellite images, combined with the classification method of the desertification degree and a machine learning model, the desertification types, trends, and conversion degrees in the arid regions of Asia were systematically evaluated. In addition, the impact mechanism of climate change on the conversion between desertification types was evaluated. The primary results were as follows: (1) Various desertification types in the arid areas of Asia from 1990 to 2022 exhibited evident time series characteristics. Extremely severe desertification expanded from 1990 to 2009 and subsequently shrunk; (2) The degree of desertification in the arid regions of Asia exhibited different change characteristics in different periods, and the converted area of the same conversion type was different in different periods; (3) Different desertification conversion types in different periods have different drivers; however, overall, soil moisture has the greatest contribution to desertification conversion type. These results provide a scientific reference for the formulation of reasonable desertification prevention and control policies.

Hydrogels based on crosslinked polyethylene glycol diacrylate and fish skin gelatin

The aim of this work was to develop hydrogels based on poly(ethylene glycol diacrylate) (PEGDA) and fish gelatin for potential biomedical applications such as wound healing, drug delivery and biosensors. The hydrogels were prepared via in situ Michael addition of ammonia crosslinker to PEGDA in the presence of cold-water fish skin gelatin that was used as an additive. The fabrication conditions and properties of the hydrogels were examined using various amounts of fish gelatin to evaluate the influence of its concentration on gelation time, crosslinking density and swelling behavior of the hydrogels. FTIR spectra confirmed the formation of the crosslinked hydrogels and the degree of conversion (DC) of the double bonds for the hydrogels containing 5, 7.5 and 10 % w/v of gelatin was between 72 and 80 %. Fish skin gelatin had a strong effect on the dimentional stability and water absorbing properties of the hydrogels and the system containing 7.5 % w/v gelatin exhibited the longest swelling time of 18 h. The hydrophobicity of the hydrogels was achieved by covalent grafting of the residual double bonds with thiol-containing small hydrocarbon molecules using thiol-ene click chemistry reaction conditions, leading to the increase of the water contact angle from 0° to 60-73°.

Uncovering chemical structure-dependency of ionic liquids as additives for efficient and durable perovskite photovoltaics

Ionic liquids (ILs) have garnered significant attention in the field of perovskite solar cells (PSCs) due to their versatile capabilities in manipulating the crystallization kinetics, optimizing the morphology, and effectively passivating defects, leading to high-efficiency and long-term stability. While previous studies have mostly focused on individual ILs or different anions and their application in PSCs, the distinctive distribution of cations and anions within ILs underscores the significance of optimizing cationic structures and elucidates the particular role of cations in ILs on device performance. In this work, the implications of juxtaposing ILs incorporating carboxyl-functionalized imidazolium cations against conventional imidazolium-based counterparts on the crystallization kinetics, perovskite film quality, and the photovoltaic performance of perovskite devices. This strategy involving carboxyl-functionalized cations in ILs with a higher affinity to coordinate Pb2+, supported by chemical spectroscopy testing and a quantitative measure of the bond strength via Crystal orbital Hamiltonian group (COHP) calculations. The modified ILs more prominently results in enhancing the degree of PbI2 conversion into perovskite, slowing down crystallization rates and inducting formation of higher-quality perovskite films. Benefitting from the strong chemical interaction provided carboxyl-functionalized cations and widespread distribution of carboxyl-functionalized cations throughout the perovskite films, accomplishing comprehensive synergistic passivation of defects in perovskite films. This led to the suppression of non-radiative recombination and enhanced carrier transport properties. The incorporation of carboxyl modified ILs with suitable chemical structures resulted in a remarkable enhancement of the champion power conversion efficiency (PCE) to 24.21% in the ILs-treated device, coupled with excellent long-term stability.

Copolymerization kinetics of hydrogels based on oligo(ethylene glycol) methacrylates and acrylic acid using isoconversional methods

Monomers consisting of a methacrylate moiety attached to a short poly(ethylene glycol) (PEG) chain can be polymerized to form hydrogels with several applications such as the removal of dyes and heavy metals from wastewater. In this study, the radical copolymerization kinetics of oligo(ethylene glycol) methyl methacrylate (OEGMMA), and oligo(ethylene glycol) hydroxyethyl methacrylate (OEGHEMA), with acrylic acid (AAc) was investigated. In both cases, hydrogels were formed with cross-linked structure. The rate of polymerization and degree of conversion were measured using differential scanning calorimetry (DSC) operating under non-isothermal conditions, at several constant heating rates, or under isothermal conditions, at different constant reaction temperatures. Isoconversional kinetics were employed to estimate the effective activation energy of the polymerization. It was found that, in the homopolymer (POEGHEMA) bearing hydroxyl groups, polymerization under both isothermal and non-isothermal conditions proceeds faster compared to the polymer with methoxy groups (POEGMMA). This behavior is attributed to the interaction between the hydrogen in the hydroxyl group with the carbonyl oxygen of the methacrylic ester, which results in a reduction of the electron density at the double bond and therefore increases its reactivity. Monomer–monomer association through hydroxyl groups results in initially lower activation energy of POEGHEMA. As polymerization proceeds, the existence of aggregated hydroxyl structures in the POEGHEMA macromolecular chains result in higher activation energies and a more abrupt increase in the conversion time curve. The addition of acrylic acid results in higher copolymerization rates for both methacrylates, with P(OEGMMA-AAc) affected more, since in the case of OEGHEMA specific functional (i.e. hydroxyl) groups already exist in the macromolecules. The association of monomer-AAc through hydroxyl‑carbonyl groups, results in lower activation energies for both copolymers compared to the corresponding homopolymers. The significant contribution of isoconversional methods in the study of polymerization kinetics of hydrogels it was thus verified.

Characterization of Microstructure, Optical Properties, and Mechanical Behavior of a Temporary 3D Printing Resin: Impact of Post-Curing Time.

The present study aimed to characterize the microstructure of a temporary 3D printing polymer-based composite material (Resilab Temp), evaluating its optical properties and mechanical behavior according to different post-curing times. For the analysis of the surface microstructure and establishment of the best printing pattern, samples in bar format following ISO 4049 (25 × 10 × 3 mm) were designed in CAD software (Rhinoceros 6.0), printed on a W3D printer (Wilcos), and light-cured in Anycubic Photon for different lengths of time (no post-curing, 16 min, 32 min, and 60 min). For the structural characterization, analyses were carried out using Fourier transform infrared spectroscopy (FT-IR) and scanning electron microscopy (SEM). The mechanical behavior of this polymer-based composite material was determined based on flexural strength tests and Knoop microhardness. Color and translucency analysis were performed using a spectrophotometer (VITA Easy Shade Advanced 4.0), which was then evaluated in CIELab, using gray, black, and white backgrounds. All analyses were performed immediately after making the samples and repeated after thermal aging over two thousand cycles (5-55 °C). The results obtained were statistically analyzed with a significance level of 5%. FT-IR analysis showed about a 46% degree of conversion on the surface and 37% in the center of the resin sample. The flexural strength was higher for the groups polymerized for 32 min and 1 h, while the Knoop microhardness did not show a statistical difference between the groups. Color and translucency analysis also did not show statistical differences between groups. According to all of the analyses carried out in this study, for the evaluated material, a post-polymerization time of 1 h should be suggested to improve the mechanical performance of 3D-printed devices.

Branched sulfonated promoter: Achieving high methane uptake and foam-free gas recovery for solidified gas storage

Gas hydrates offer a promising solution for clean and low-carbon energy storage and the transportation of natural gas. However, their slow formation kinetics and dissociation-induced foaming hinder their practical application. This study investigates a novel branched sulfonated promoter (BSP) to address these challenges. The effectiveness of BSP in promoting methane hydrate formation was evaluated by measuring the conversion degree, methane consumption, storage capacity, hydrate growth rate, and reaction rate constant. Molecular dynamics (MD) simulations provided insights into BSP's interaction with methane and water molecules, its self-aggregation, adsorption, and its role in hydrate cage formation. BSP demonstrated comparable performance to SDS in accelerating methane hydrate formation. At a concentration of 500 ppm, BSP achieved a water-to-hydrate conversion rate of 89.54 %, methane consumption of 432.16 mmol, and a storage capacity of 165.1 v/v after 450 min. BSP effectively suppressed foam formation during methane hydrate dissociation, and all the hydrates melted within 15 min. Moreover, BSP promotes the formation of dense and solid hydrates, unlike SDS, which favors hydrate growth on reactor walls. MD simulations revealed that BSP molecules do not form micelles but interact with water molecules through their hydrophilic chains, facilitating methane accumulation around their hydrophobic tails. This behavior promotes methane aggregation and hydrate formation. BSP surpasses SDS in terms of foam-free dissociation, making it a promising candidate for practical hydrate-based energy storage and transportation technologies. The combined experimental and computational approach provides valuable insights into the mechanisms underlying BSP's promotional effect, challenging the long-held belief that long alkyl chains are essential for hydrate promotion. This paves the way for further development of effective and environmentally friendly hydrate promoters.

Thermogravimetric analysis and kinetic modeling of the pyrolysis of different biomass types by means of model-fitting, model-free and network modeling approaches

AbstractThis work aims at comparing the ability of 7 modeling approaches to simulate the pyrolysis kinetics of spruce wood, wheat straw, swine manure, miscanthus and switchgrass. Measurements were taken using a thermogravimetric analyzer (TGA) with 4 heating rates comprised between 5 and 30 K min−1. The obtained results were processed using 3 isoconversional methods (Kissinger–Akahira–Sunose (KAS), Ozawa–Flynn–Wall (OFW) and Friedman), 1-step and 3-step Kissinger models, as well as an advanced fitting method recently proposed by Bondarchuk et al. [1] (Molecules 28:424, 2023, https://doi.org/10.3390/molecules28010424). Seventeen reaction models were considered to derive rate constant parameters, which were used to simulate the variation of the fuel conversion degree $$\alpha$$ α as a function of the temperature $$T$$ T . To complement this benchmarking analysis of the modeling approaches commonly used to simulate biomass pyrolysis, a network model, the bio-CPD (chemical percolation devolatilization), was additionally considered. The suitability of each model was assessed by computing the root-mean-square deviation between simulated and measured $$\alpha =f(T)$$ α = f ( T ) profiles. As highlights, the model-free methods were found to accurately reproduce experimental results. The agreement between simulated and measured data was found to be higher with the Friedman model, followed by the KAS, FWO, 3-step, and 1-step Kissinger models. As for the bio-CPD, it failed to predict measured data as well as the above-listed models. To conclude, although it was less efficient than the Friedman, KAS or OFW models, the fitting approach from Bondarchuk et al. [1] (Molecules 28:424, 2023, https://doi.org/10.3390/molecules28010424) still led to satisfactory results, while having the advantage of not requiring the selection of a reaction model a priori.

Preheating and "snow-plow" composite application technique affect double bond conversion but not bond strength to dentine.

To measure degree of conversion (DC) of a flowable composite, microtensile bond strength (MTBS) to dentine in the snow-plow technique with/without preheating and temperature in the preheated composite. For DC, snow-plow specimens of Filtek Ultimate Flowable (Flow) and Filtek Bulk Fill (Bulk) (3M) were prepared by light-curing composites simultaneously in standardized molds while in control groups light-curing was separate. DC of Flow was measured using micro-Raman spectroscopy. For MTBS, specimens were prepared on dentine of human extracted molars by simultaneous (snow-plow) or separate (control) light-curing. MTBS was measured using a universal testing machine after 24 h and 6 months. Data were analyzed using ANOVA with Tukey's post hoc (α = 0.05). Increased curing time significantly increased DC in snow-plow from 13.4% ± 11.6% (10 s) to 31.8% ± 4.4% (40 s) albeit significantly lower than controls (p < 0.05). Preheated Bulk improved conversion in snow-plow (44.3% ± 1.7%) and control (50.5% ± 2.6%) (p < 0.05). No significant differences occurred in MTBS between groups (p > 0.05). MTBS values ranged between 66.7 ± 8.4 MPa (snow-plow group_21°C_baseline) and 54.1 ± 15.8 MPa (control_21°C_long-term). Temperature in the preheated Bulk dropped to ~38°C after 30 s. Snow-plow technique, irrespective of preheating, resulted in lower DC of Flow than separate light-curing of composite increments. Snow-plow, irrespective of preheating, resulted in similar initial and long-term MTBS to dentine. Clinicians with preference for flowable composite liners in Class II restorations should be aware that the snow-plow technique of simultaneous light-curing of flowable and bulk-fill composite increments affects monomer-to-polymer conversion, albeit no effect on immediate, and long-term bonding to dentine was detected. Preheating sculptable bulk-fill composite improves conversion of the flowable liner in the snow-plow technique but has no detectable effect on bond strength to dentine.

Nanocrystalline FeMnO3 Powder as Catalyst for Combustion of Volatile Organic Compounds.

The paper shows the obtaining of nanocrystalline iron manganite (FeMnO3) powders and their investigation in terms of catalytic properties for a series of volatile organic compounds. The catalyst properties were tested in the catalytic combustion of air-diluted vapors of ethanol, methanol, toluene and xylene at moderate temperatures (50-550 °C). Catalytic combustion of the alcohols starts at temperatures between 180 °C and 230 °C. In the case of ethanol vapors, the conversion starts at 230 °C and increases rapidly reaching a value of around 97% at 300 °C. For temperatures higher than 300 °C, the degree of conversion is kept at the same value. In the case of methanol vapors, the conversion starts at a slightly lower temperature (180 °C), and the degree of conversion reaches the value of 97% at a higher temperature (440 °C) than in the case of ethanol, and it also remains constant as the temperature increases. Catalytic combustion of the hydrocarbons starts at lower temperatures (around 50 °C), the degree of conversion is generally lower, and it increases proportionally with the temperature, with the exception of toluene, which shows an intermediate behavior, reaching values of over 97% at 430 °C. The studied iron manganite can be recommended to achieve catalysts that operate at moderate temperatures for the combustion of some alcohols and, especially, ethanol. The performance of this catalyst with regard to ethanol is close to that of a catalyst that uses noble metals in its composition.