Experimental Temperature Research Articles

Study on microcosmic properties and temperature simulation of foamed polypropylene composites.

The injection molding procedure and the compression molding procedure of foamed polypropylene composite are studied. The pore diameter, pore density, and microscopic topography for polypropylene composites was studied by experiments of slicing samples. The foamed temperature is very important for foamed property of the foamed polypropylene composite materials. To analyze the effect of temperature distribution, the virtual boundary meshfree Galerkin method (VBMGM) was employed the radial basis function interpolation method to obtain a detailed discretization formula. The temperature of experiment and numerical calculation from zone a to zone d in different zones of the injection molding procedure is reduced from 406.35 K to 311.63 K; the temperature from Ma zone to Md zone in the compression molding procedure is reduced from 326.35 K to 309.14 K. The experimental observation of the injection molding procedure shows that the foamed property in zone c is ideal, and the average pore diameter and pore density are 26.5 µm and 2.43×109 cells·cm-3 respectively. According to the experimental observation of compression molding process, the foamed property in Md zone is ideal, and the average pore diameter and pore density are 131.2 µm and 6.3×104 cells·cm-3. These results are of great significance to the foam molding of polypropylene composites.

SIMULATION OF PREHEATING AND HEATING WHEN CONNECTING POLYETHYLENE PIPES WITH ELECTROFUSION COUPLINGS

Existing machines for electrofusion welding of polyethylene pipes provide a high-quality connection at air temperatures no lower than minus 10 °C. However, if welding is required at lower temperatures, a layer of heat-insulating material is used to reduce the cooling rate. This insulation is selected based on the air temperature and the size of the welded pipes. This paper investigates the dynamics of temperature fields at the stages of heating, temperature equalization and heating using a new technology of welding at low temperatures. The proposed technology eliminates the use of thermal insulation material and allows welding to be carried out automatically.The paper presents a mathematical model that describes the thermal process when performing all welding operations at low temperatures. The model describes the thermal process with and without phase transformation. The well-known method of end-to-end calculation with the introduction of effective heat capacity is used to consider the heat of phase transition in the temperature range. The model also considers the dependence of the thermophysical properties of polyethylene on the degree of crystallinity.The following text presents the results of preheating and temperature equalization calculations for welding polyethylene pipes of the PE 100 SDR 11 brand with a diameter of 160 mm at an air temperature of minus 40 °C. To accurately describe the thermal process of real welding, experimental temperature data was used for parametric identification. It is shown that as a result of preheating and temperature equalization in the weld and thermally affected zones and outside them at a distance of more than 10 mm, the temperature values do not exceed acceptable limits. The resulting temperature distribution allows heating according to the standard welding mode. Calculations show that when the heating is completed, the volume of the polyethylene melt corresponds to the volume of the welding melt at the allowed air temperature.These findings can be used to develop a technique for controlling the movement of the crystallization front during welding at low temperatures.

Unveiling the Novel Mechanistic Insights and Role of Base in Zn‐Catalyzed Csp–Csp2 Cross‐Coupling Reaction

ABSTRACTA detailed mechanistic investigation of the Zn (II)‐catalyzed Csp–Csp2 (Sonogashira‐type) cross‐coupling reaction is reported herein, using the Density Functional Theory method. The present study unveiled an unconventional non‐redox mechanism for Zn‐catalyzed cross‐coupling reaction, where the oxidation state of Zn remains intact throughout the catalytic cycle. Our study further revealed the significant role of the base in controlling the feasibility of cross‐coupling reactions that are catalyzed by electron‐deficient metal centers. Our study indicates that K3PO4 acts as an ancillary ligand (Lewis base) for the electron‐deficient Zn (II) catalytic center rather than as a proton abstractor for the nucleophilic coupling partner (phenylacetylene) in this reaction. The active catalyst was identified to be a four‐coordinate bis‐DMEDA Zn (II) complex. The mechanism proceeds via the initial activation of the nucleophilic coupling partner (phenylacetylene), followed by the electrophilic coupling partner (organic halide) activation liberating the cross‐coupled product by a concerted nucleophilic substitution pathway. The turn‐over limiting step was identified to be the activation of the electrophilic coupling partner. The activation barrier obtained for the reaction, 31.0 kcal/mol concords well with experimental temperature requirements (125°C). The coordination by base is found to stabilize the rate‐determining intermediates and transition states involved in the reaction. The mechanistic insights gained from this study could aid in the rational design and development of sustainable cross‐coupling reactions using zinc as the catalyst.

Understanding melting behavior of aluminum clusters using machine learned deep neural network potential energy surfaces.

Deep neural network-based deep potentials (DP), developed by Tuo et al., have been used to compute the thermodynamic properties of free aluminum clusters with accuracy close to that of density functional theory. Although Jarrold and collaborators have reported extensive experimental measurements on the melting temperatures and heat capacities of free aluminum clusters, no reports exist for finite-temperature abinitio simulations on larger clusters (N > 55 atoms). We report the heat capacities and melting temperatures for 32 clusters in the size range of 48-342 atoms, computed using the multiple histogram technique. Extensive molecular dynamics (MD) simulations at twenty four temperatures have been performed for all the clusters. Our results are in very good agreement with the experimental melting temperatures for 19 clusters. Except for a few sizes, the interesting features in the heat capacities have been reproduced. To gain insight into the striking features reported in the experiments, we used structural and dynamical descriptors such as temperature-dependent mean squared displacements and the Lindemann index. Bimodal features observed in Al116 and the weak shoulder seen in Al52 are attributed to solid-solid structural transitions. In confirmation of the earlier reports, we observe that the behavior of the heat capacities is significantly influenced by the nature of the ground state geometries. Our findings show that the sharp drop in the melting temperature of the 56-atom cluster is a consequence of the change in the geometry of Al55. Mulliken population analysis of Al55 reveals that the charge-induced local electric field is responsible for the strong bonding between core and surface atoms, leading to the higher melting temperature. Our calculations do not support the lower melting temperature observed in experimental studies of Al69. Our results indicate that Al48 is in a liquid state above 600K and does not support the high melting temperature reported in the experiment. It turns out that the accuracy of the DP model by Tuo et al. is not reliable for MD simulations beyond 750K. We also report low-lying equilibrium geometries and thermodynamics of 11 larger clusters (N = 147-342) that have not been previously reported, and the melting temperatures of these clusters are in good agreement with the experimental ones.

Response of native and invasive grazers to global warming: marine heatwaves vs. gradual trends

Ecological responses to global warming are likely driven by a combination of gradual warming trends and extreme climate events, which are increasing in frequency and intensity. Specifically, heatwaves may amplify the impact of ongoing warming, and thus affect species’ physiological responses, behaviour and eventually survival. Here, we tested the hypothesis that a tropical invasive grazer snail, Cerithium scabridum, will be more resilient to the effects of future gradual warming and marine heatwaves (MHWs) than its native congener C. lividulum, co-occurring in rocky intertidal pools along the Levantine coast. Survival and faecal production (as a proxy for feeding rate) of the 2 species were measured under 4 experimental temperature conditions: ambient summer mean (31°C), predicted warming scenario (ambient +3°C), and short-term MHWs (+5°C) added to either ambient or warming treatments, followed by a recovery period. No effect of warming alone was detected on either species, whereas MHW reduced faecal production only in the native C. lividulum. During the recovery period, C. lividulum survival dropped, but the few surviving individuals recovered from the heat stress as indicated by the increase in faecal production. Neither snail species survived under the combination of warming and MHW. These results suggest that both species, living in a thermally fluctuating and often extreme environment, can tolerate a +3°C gradual warming, but only the invasive snail can withstand a +5°C heatwave. However, neither species can endure a severe heatwave on top of predicted gradual warming, potentially leading to population collapse among both species in the region.

Insights on Arc Magmatic Systems Drawn from Natural Melt Inclusions and Crystallization Experiments at PH2O =800 MPa under Oxidizing Conditions

Abstract Whole rock compositions at Buldir Volcano, western Aleutian arc, record a strong, continuous trend of iron depletion with decreasing MgO, classically interpreted as a calc-alkaline liquid line of descent. In contrast, olivine-hosted melt inclusions have higher total iron (FeO*) than whole rocks and show little change in FeO* with decreasing MgO. To investigate this discrepancy and determine the conditions required for strong iron depletion, we conducted oxygen fugacity (ƒO2) buffered, water-saturated crystallization experiments at 800 MPa and ƒO2 = QFM+1.6 ± 0.4 (1$\sigma$) (where QFM refers to the quartz-fayalite-magnetite buffer) on a high-Al, basaltic starting material modeled after a Buldir lava. Experimental conditions were informed by olivine-hosted melt inclusions that record minimum entrapment pressures as high as 570 MPa, >6 wt.% H2O, and ƒO2 of QFM+1.4 (±0.2), making Buldir one of the most oxidized and wettest arc volcanoes documented globally. The experiments produce melts with Si-enrichment and Fe-depletion signatures characteristic of evolved, calc-alkaline magmas at the lowest MgO, although FeO* remains roughly constant over most of the experimental temperature range. Experiments saturate CrAl-spinel and olivine at 1160oC, followed by clinopyroxene and Al-spinel at 1085oC, hornblende at 1060oC, and, finally, plagioclase and magnetite between 1040oC and 960oC. Hornblende crystallization, not magnetite, generates the largest increase in SiO2 and largest decrease in FeO* in coexisting melts. Compositions of melt inclusions are consistent with experimental melts and reflect crystallization of a basaltic parent magma at high PH2O. In contrast, the whole rock compositional trends are influenced by magma mixing and phenocryst redistribution and accumulation. The crystallization experiments and natural liquids (melt inclusions and groundmass glass) from Buldir suggest that for an oxidized, hydrous primary basalt starting composition, significant Fe-depletion from the melt will not occur until intermediate to late stages of magma crystallization (< ~4.5 wt.% MgO). We conclude that the Buldir whole rock trend cannot be reproduced by crystallization at arc-relevant oxygen fugacities and is not a true liquid line of descent, warranting caution when interpreting volcanic trends globally.

The characterization of ancient Methanococcales malate dehydrogenases reveals that strong thermal stability prevents unfolding under intense γ-irradiation.

Malate dehydrogenases (MalDH) (EC.1.1.1.37), which are involved in the conversion of oxaloacetate to pyruvate in the tricarboxylic acid cycle, are a relevant model for the study of enzyme evolution and adaptation. Likewise, a recent study showed that Methanococcales, a major lineage of Archaea, is a good model to study the molecular processes of proteome thermoadaptation in prokaryotes. Here, we use ancestral sequence reconstruction and paleoenzymology to characterize both ancient and extant MalDHs. We observe a good correlation between inferred optimal growth temperatures (OGTs) and experimental optimal temperatures for activity (A-Topt). In particular, we show that the MalDH present in the ancestor of Methanococcales was hyperthermostable and had an A-Topt of 80°C, consistent with a hyperthermophilic lifestyle. This ancestor gave rise to two lineages with different thermal constraints, one remaining hyperthermophilic while the other underwent several independent adaptations to colder environments. Surprisingly, the enzymes of the first lineage have retained a thermoresistant behavior (i.e., strong thermostability and high A-Topt), whereas the ancestor of the second lineage shows a strong thermostability, but a reduced A-Topt. Using mutants, we mimic the adaptation trajectory towards mesophily and show that it is possible to significantly reduce the A-Topt without altering the thermostability of the enzyme by introducing a few mutations. Finally, we reveal an unexpected link between thermostability and the ability to resist γ-irradiation-induced unfolding.

Efficient removal of perfluorooctanoic acid from aqueous matrices using cationic surfactant functionalized graphene oxide nanocomposite: RSM and ANN modeling, and adsorption behaviour

Perfluorooctanoic acid (PFOA), a persistent and recalcitrant emerging organic contaminant, has garnered worldwide attention due to its pervasiveness and strong bioaccumulation, emphasizing the urgent necessity for effective removal strategies. To address PFOA contamination in the global aquatic environment, this study prepared cetyltrimethylammonium bromide (CTAB)-functionalized graphene oxide (GO-C) nanocomposites. The functionality of GO-C is controlled by varying loading ratios of CTAB to achieve satisfactory performance. After preliminary experiments that confirmed the superior performance of GO-C0.5 in PFOA removal, the response surface methodology (RSM) revealed the effects of different process parameters, which followed the sequence: adsorbent dose > pH > time. The optimum PFOA removal of 98.5 % was achieved at adsorbent dose: 200 mg/L, pH: 3.5, and time: 50 min, at an experimental temperature of 298 K. Furthermore, a predictive model using an artificial neural network was developed for PFOA adsorption, which closely aligns with the experimental data (R2: 0.9999). The PFOA adsorption was most accurately represented by Freundlich isotherm (R2: 0.9747) and pseudo-second-order kinetics (R2: 0.9995), with a maximum experimental adsorption capacity of ~709.94 mg/g under RSM optimized conditions. The adsorption mechanism involves electrostatic and hydrophobic interactions and hydrogen bonding, as confirmed by the spectroscopic and zeta potential analyses. Lastly, the competitive adsorption and regeneration experiments underscore the potential of GO-C nanocomposite in removing PFOA. Overall, this study provides insights into the development and application of sustainable and promising adsorbent for the removal of PFOA in wastewater stream.

Improving the thermal properties of water by adding MWCNTs, cerium oxide, and MgO hybrid nanoparticles at different temperatures and volume fraction of nanoparticles: Experimental investigation

This study aimed to investigate the thermal conductivity (TC) of various nanofluid compositions, including water/MWCNT-MgO-cerium oxide ternary hybrid nanofluids (THNFs) with solid volume fractions (SVFs) ranging from 0.1% to 0.6%. Additionally, the thermal conductivity of water/MWCNT-cerium oxide, water/MWCNT-MgO, and water/MgO-cerium oxide hybrid nanofluids (HNFs), as well as water/MWCNT, water/cerium oxide, and water/MgO mono nanofluids (MNFs), was measured at SVF=0.1% and 0.3%. The experimental temperature was varied between 20, 30, 40, and 50°C for all samples. The MWCNT, MgO, and cerium oxide nanoparticles (NPs) were suspended in the water base fluid (BF) to create the nanofluids (NFs) in a two-step process. MWCNT NPs are 20–30 nm in size, MgO NPs are 20 nm, and cerium oxide NPs are 10–30 nm in size. DLS and zeta potential experiments, which demonstrate the correct stability of NFs, were used to evaluate the stability of NFs. The KD2-Pro instrument was used to test the samples' TC after making sure they were stable. The data obtained demonstrate a rise in TC with rising SVF and rising temperature. The MWCNT/water MNF exhibits the largest rise in TC in SVF=0.3%, with a TC increase of 19.16% at T=40°C. It should be noted that the largest increase in TC is 26.09% compared to the BF for water/MWCNT-MgO-cerium oxide THNF at SVF=0.5% and T=40°C. Finally, a mathematical connection was shown with the comparisons done to estimate the data. The results demonstrate the postulated relationship's high degree of accuracy.

Effect of the ash melting on heat and mass characteristics and reaction rate during corn stalk pellet gasification

In order to investigate the effect of ash melting on the gasification process of biomass pellet, a high-temperature visual gasification system was set up, meanwhile, a biomass melting gasification model for a single pellet was built. Considering that the fusion temperature range of ash is from 1418 K to 1558 K, 1396 K (below 1418 K), 1491 K (between 1418 K and 1558 K), 1591 K and 1677 K (above 1558 K) were chosen as the experimental temperatures. Results show that ash melting could absorb heat, thereby resisting the heat transfer inside pellet. When the gasification temperature is higher than 1558 K, as the larger spherical particles caused by ash melting and coalescing peels off from the pellet surface, the pellet covered by melting ash could be directly exposed to the environment, which is conducive to the heat and mass transfer.

Novel carboxymethyl cellulose-based hydrogel embedded with metal organic framework for efficient cationic dye removal from water

The rGO/CMC/β-CD (RCβ) hydrogel was synthesized from reduced graphene oxide (rGO), β-cyclodextrin (β-CD) and sodium carboxymethyl cellulose (CMC) by radical polymerization. A novel hydrogel adsorbent was created by growing the metal-organic framework (Cu-BTC) in-situ on RCβ hydrogel, which has excellent adsorption capacities for cationic dyes in wastewater. The adsorption parameters such as the amount of adsorbent, pH of solution and adsorption time were optimized through batch adsorption experiments. Under the optimal conditions of pH 6.0, adsorbent dosage of 0.01 g and experimental temperature of 25 °C, Langmuir isothermal model was used to fit the maximum adsorption capacities of methylene blue (MB), crystal violet (CV) and malachite green (MG), which were 892.66, 842.75 and 633.77 mg g−1, respectively. The fitting results of adsorption kinetics revealed that the pseudo-second-order model can describe the adsorption process better. Based on proposed studies, the dye molecules were adsorbed onto RCβ@Cu-BTC hydrogel mainly through electrostatic interaction, hydrogen bonding and π–π interactions. After five cycles, the adsorption efficiency of the RCβ@Cu-BTC hydrogel for MB, CV and MG can still reach 80 %, 77 % and 72 %, which shows that the adsorbent has good adsorption performance. Various adsorption experiments shows that RCβ@Cu-BTC hydrogel has great potential in treating dye wastewater.

Energy Recovery from Municipal Sewage Sludge: Combustion Kinetics in a Varied Oxygen–Carbon Dioxide Atmosphere

Energy from municipal sewage sludge can be obtained by applying a thermal conversion method. In this study, the combustion kinetics of municipal sewage sludge were analyzed in an O2/CO2 atmosphere. Studies were conducted in different gaseous atmospheres consisting of varying proportions of oxygen and carbon dioxide. The participation of oxygen was as follows: 20, 40, 60, 80 and 100% vol. The experimental temperatures varied from 873 to 1273 K. The experimentally obtained results helped establish the basic kinetic parameters, such as the reaction order n, factor Ko and activation energy Ea of sludge grains. The values of the activation energy Ea and Ko were, respectively, 46 kJ/mol and 0.0127 mg/m2sPa. They show that the limiting factor of combustion is the diffusion of oxygen and that combustion reactions take place in the outer layer of the unreacted core. Therefore, sludge is promising for energy recovery because it has quite a high net calorific value (NCV) and a high gross calorific value (GCV). The GCV was 14.1 MJ/kg and the NCV was 12.8 MJ/kg. The experimental studies with a wide range of process parameters helped to create an array of apparent reaction rates as a function of the temperature and oxygen concentration, showing the significant effect of oxygen on the apparent reaction rate, in contrast to the effect of temperature.

Impact of spatially varying transport coefficients in EMC3-Eirene simulations of W7-X and assessment of drifts

Abstract Modelling the scrape-off layer of a stellarator is challenging due to the complex magnetic 3D geometry. The here presented study analyses simulations of the scrape-off layer (SOL) of the stellarator Wendelstein 7-X (W7-X) using spatially varying diffusion coefficients for the magnetic standard configuration, extending our previous study (Bold et al 2022 Nucl. Fusion 62 106011). Comparing the EMC3-Eirene simulations with experimental observations, an inconsistency between the strike-line width (SLW) and the upstream parameters was observed. While to match the experimental SLW a particle diffusion coefficient D ≈ 0.2 m2 s−1 is needed, D ≈ 1 m2 s−1 is needed to get experimental separatrix temperatures of 50 eV at the given experimental heating power. We asses the impact of physically motivated spatially varying transport coeffients. Agreement with experimental data can be improved, but various differences remain. We show that drifts are expected to help overcome the discrepancies and, thus, the development of SOL transport models including drifts is a necessary next step to study the SOL transport of the W7-X stellarator.

Thermal model to investigate temperature distribution with a hollow notched K-wire for bone drilling

K-wire drilling is commonly used in orthopedic surgeries, generating significant heat that can lead to bone thermal osteonecrosis. To understand the heat propagation and thermal damage region, a mathematical model of the negative rake angle on the hollow notched K-wire was established. Subsequently, a theoretical model of the shear angle for this negative rake angle was proposed. Based on these models, a comprehensive theoretical model of the heat flux was derived. The accurate heat flux was determined using the theoretical values, and experimental temperature data through inverse heat transfer method (IHTM). This heat flux was then applied in a finite element analysis to simulate the heat transfer process and identify thermal damage regions under different drilling conditions. Results showed that the thermal damage region of bone with a solid K-wire, hollow notched K-wire without cooling, with air cooling, and with water cooling were approximately 6.4 mm, 3.2 mm, 2.6 mm, and 4.8 mm in width, respectively, and 6.79 mm, 6.45 mm, 6.39 mm, and 6.58 mm in depth, respectively. This study demonstrates that the hollow notched K-wire with air cooling is a potential solution to reduce the thermal damage region, thereby accelerating patient recovery.

Simulation of dissolution of cerium trifluoride in a mixture of LIF–NaF–KF

The study of phase diagrams of multicomponent molten mixtures is traditionally carried out either by experimental measurements or thermodynamic calculations based on known experimental data. Atomistic modeling occupies a significantly smaller share in the methodology, and the capabilities of this approach have been poorly studied. In this work, we simulated the dissolution of cerium trifluoride in the ternary eutectic of lithium, sodium, and potassium fluorides using the molecular dynamics method. A time- and ensemble-scale simulation of the coexisting crystalline phase and melt at several temperatures was carried out. The influence of ensemble size was studied. The rate of dissolution was studied depending on temperature. The asymptote of the dependence agrees well with the experimental liquidus temperature for a given composition. A conclusion is given about the possibility of using molecular dynamics to determine the complete solubility of a melt component.

Assessment of the impact behavior of CLF-1 steel with Charpy V-notch testing and miniature Charpy V-notch testing

China Low-activation Ferrite steel (CLF-1), as one of the structural materials developed in China for fusion reactors, is a Reduced activation Ferritic/Martensitic (RAFM) steel modeled after the traditional T91 steel (9Cr-1Mo-0.2V-0.08Nb). For fusion reactor materials, the Charpy impact testing is an important method to assess their notch sensitivity. In this study, Charpy impact tests were conducted on CLF-1 steel using Charpy V-notch specimens (CVN) and Miniature Charpy V-notch specimens (Kleinstprobe, KLST) to assess the impact behavior of CLF-1 steel, and data normalization was performed on the KLST specimen. The results show that as the specimen size of CLF-1 steel decreased, the curves of impact absorbed energy, lateral expansion, and shear fracture appearance shifted towards lower temperatures, and the impact absorbed energy significantly decreased. Both the macroscopic and microscopic characteristics of the specimens obtained from the experiments indicated that KLST specimens could achieve the same fracture characteristics as CVN specimens. Additionally, at the same experimental temperature, KLST specimens exhibited a higher proportion of ductile fracture regions.

Mass spectrometry proteomic profiling of postmortem human muscle degradation for PMI estimation

The discovery of new methods for determining the post-mortem interval is of significant forensic interest. Mass spectrometry has enhanced the accuracy of assessing post-mortem protein decay, with skeletal muscle being the most studied substrate due to its intrinsic properties of postmortem decay. In this pilot study, human skeletal muscle tissue (iliopsoas) was harvested and allowed to decay under controlled temperature and humidity conditions at predetermined intervals.The samples were analyzed using mass spectrometry proteomics for both qualitative and quantitative evaluation of proteins and peptides. Candidate proteins were validated through immunoblotting.The results were significant, identifying several proteins that could aid in estimating the post-mortem interval. Notably, PLIN4, MYOZ2, SYNPO2, and BAG3 were validated by immunoblotting over a broader range of experimental points and temperatures. Furthermore, human results were compared with animal muscle samples from a previous study, revealing similarities in decomposition kinetics.This analysis of human samples marks a step forward in the potential forensic application of proteomic evaluation by mass spectrometry.

Fin angles optimization of water-cooled plate-fin heat sink based on anisotropic Darcy–Forchheimer theory

Flat heat sinks are devices for efficient heat dissipation and are important components in manufacturing. For example, in precision glass molding, it is utilized as a cooling plate contributing to improve the quality of the product by reducing residual stress and shape deviation, during the gradual cooling phase. In this study, we attempted to achieve precise temperature design of the cooling plate using variable lattice optimization. Fins allow for controlling the flow direction and achieving efficient heat transfer. Therefore, elliptical cylindrical fins were adopted as lattice unit cells, increasing the design freedom of the flow field. To account for the asymmetric flow field within the unit cell, we introduced an asymmetric tensor for the coefficients of the effective physical properties in the Darcy–Forchheimer equation. The proposed method's effectiveness and validity are discussed through numerical calculations with effective material properties, reproduced detailed shapes, and experimental verification. The optimization aiming to minimize the average temperature yielded a numerical simulation temperature decrease of 24.6 % and an experimental temperature decrease of 14.1 % compared to the benchmark model.

Study on high-temperature emission behaviors of crumb rubber modified asphalt: Experimental analysis and molecular simulation approach

The harmful emissions produced during the manufacturing and construction processes of crumb rubber modified asphalt (CRMA) significantly hinder its widespread application. Addressing this issue hinges on a thorough investigation into the mechanism governing its high-temperature emissions. This study employed microscale testing methods to analyze the microstructure and chemical property disparities between CRMA and base asphalt (BA). Subsequently, the impacts of varying crumb rubber (CR) content, experimental temperature, and sulfur stabilizer dosage on the high-temperature emissions of CRMA were investigated. Furthermore, comparative analyses of the molecular weight distribution, emission species, and CR crosslink density in asphalt after the fume experiment were conducted to further elucidate the high-temperature emission mechanisms. Finally, molecular simulation techniques were employed to analyze the interactions between CR and the four fraction molecules of asphalt at the microscale. The results indicated that the fume release volume of CRMA initially decreased and then increased with the addition of CR, while both the experimental temperature and sulfur stabilizer content exhibited a positive correlation with emission volume. CR reduced the volatilization of some small molecular hydrocarbons in the BA by absorbing light fractions. Meanwhile, excessive swelling caused the crosslinking density of CR to decrease by 77 %, which led to the release of toxic substances. At 20% CR content, the overall emissions of CRMA achieve their lowest level; however, the emission of toxic gases does not diminish. Molecular simulations have also confirmed the above results, showing that there is a strong interaction between CR and the light fractions. Compared with asphaltene molecules, rubber molecules had higher molecular polarity and stronger adsorption behavior for light fraction molecules.

An evaluation of the combustion temperature profile of Ba(NO3)2-based composition

The study examined both theoretical and experimental combustion temperatures of Ba(NO3)2-based samples of composition with an oxidizer excess coefficient of α~0.72 under various pressures. The results indicate that at low pressures, the combustion temperature of the samples is significantly lower than the calculated value. The temperature profile in the combustion wave at atmospheric pressure was determined, revealing that the samples exhibit a high surface combustion temperature. The majority of the heat required for the propagation of the sample's combustion is released in the condensed phase. These findings underscore the influence of pressure on combustion characteristics and emphasize the importance of considering phase interactions in understanding combustion behaviors.