Gas Density Research Articles

Study on Multi-Parameter Variation of Smoke Flow in Inclined Roadway Fire

ABSTRACT Based on the fluid similarity theory, a “Mine inclined roadway fire simulation experimental system” with similarity ratio of 1:20 is established. The temperature, velocity, density and dynamic pressure of fire smoke under different inlet wind speed (0.5 m/s, 1.0 m/s, 1.5 m/s) were tested and analyzed, and the distribution of temperature, velocity, density and dynamic pressure of inclined roadway during fire was simulated and analyzed by Ansys numerical simulation software. The research shows that: The higher the inlet wind speed, the faster the heat diffusion and the temperature field tends to be flat and long, the wind speed changes in advance and the change is drastic, the gas density decreases, the dynamic pressure first decreases and then increases and then tends to stabilize, but the change trend of temperature, wind speed, gas density and pressure in the overall combustion process remains unchanged. The numerical analysis results are in good agreement with the experimental results. By studying the change law of smoke temperature, velocity, density and dynamic pressure of coal mine inclined roadway fire, the theory of coal mine roadway fire is further perfected, and the level of coal mine fire prevention and rescue is improved.

Design and development of an advanced gas storage device and control method for a novel compressed CO2 energy storage system

Compressed CO2 energy storage (CCES) has advantages over compressed air in energy density and efficiency. Compared to air, CO2 needs to be in a closed-loop cycle in the CCES. The development of CCES is constrained by low-pressure CO2 storage. Storage density can be increased by adsorption without changing pressure. However, the control of the flow rate during adsorption/desorption has rarely been studied experimentally. In this paper, an adsorption tower for CCES is proposed and the regulation of the desorption flow rate is experimentally investigated. Using temperature-swing adsorption, the storage and release can be regulated without reducing the energy storage capacity. During the desorption process, the temperature of the exhaust gas can also be maintained stably. The adsorbent with a volume of 51.81 L was able to release 6121.9 g of CO2 when heated to 200 °C. Under the same pressure conditions, the effective storage density of the tower can reach 118.2 g/L, which is 67.5 times higher than the gaseous density (1.75 g/L, 1 bar, 303 K). The desorption flow rate is linearly related to the forward speed of the front in the adsorption tower. The flow rate can be regulated by controlling the superficial gas velocity and the desorption temperature. This method can match the flow rate of the adsorption tower with the gas consumption of the compressor, providing a novel solution for CCES.

Physical conditions in Centaurus A’s northern filaments

We present the first observations of HCO+(1–0) and HCN(1–0) emission in the northern filaments of Centaurus A with ALMA. HCO+(1–0) is detected in nine clumps of the Horseshoe complex, with similar velocities as the CO(1–0) emission. Conversely, HCN(1–0) is not detected, and we derive upper limits on the flux. At a resolution of ∼40 pc, the line ratio of the velocity-integrated intensities IHCO+/ICO varies between 0.03 and 0.08, while IHCO+/IHCN is higher than unity, with an average lower limit of 1.51. These ratios are significantly higher than what is observed in nearby star-forming galaxies. Moreover, the ratio IHCO+/ICO decreases with increasing CO-integrated intensity, contrary to what is observed in the star-forming galaxies. This indicates that the HCO+ emission is enhanced and may not arise from dense gas within the Horseshoe complex. This hypothesis is strengthened by the average line ratio IHCN/ICO < 0.03, which suggests that the gas density is rather low. Using non-local thermal equilibrium, large velocity gradient modelling with RADEX, we explored two possible phases of the gas, which we call ‘diffuse’ and ‘dense’ and are characterised by a significant difference in the HCO+ abundance relative to CO, respectively NHCO+/NCO = 10−3 and NHCO+/NCO = 3 × 10−5. The average CO(1–0) and HCO+(1–0) integrated intensities and the upper limit on HCN(1–0) are compatible with both diffuse (nH = 103 cm−3, Tkin = 15 − 165 K) and dense gas (nH = 104 cm−3, Tkin > 65 K). The spectral setup of the present observations also covers SiO(2–1). While undetected, the upper limit on SiO(2–1) is not compatible with the RADEX predictions for the dense gas. We conclude that the nine molecular clouds detected in HCO+(1–0) are likely dominated by diffuse molecular gas. While the exact origin of the HCO+(1–0) emission remains to be investigated, it is likely related to the energy injection within the molecular gas that prevents gravitational collapse and star formation.

Numerical Simulation of Gas-suspended Proppant Migration Based on Equivalent Principle

Abstract The gas-suspended proppant is composed of conventional proppant particles and hydrophobic aerophilic coating. The surface coating changes the surface wettability of the proppant and increases the adhesion of the proppant surface to the gas, changing the traditional liquid-carried proppant into a gas-carried proppant. The sand carrying capacity of low concentration polymer fracturing fluid can be greatly improved by using air-suspended proppant carrying technology. At present, there is no numerical simulation method aiming at the migration law of gas-suspended proppant. Based on the principle of equivalent substitution, the density of gas and particles is set as the calculated equivalent density during simulation. Similarly, the diameter of gas-suspended proppant is set as the calculated equivalent diameter during simulation. Then computational fluid dynamics software was used to simulate the Euler-Euler method. It is found that Euler-Euler method can simulate the placement of gas-suspended proppant in fractures. Compared with conventional proppant, gas-suspended proppant is not easy to settle during migration, and the settling sand bed still has fluidity and can be re-suspended. When gas suspension proppant density increases, the proppant sedimentation trend increased. Increase the injection rate of proppant, and the shape of long and high sand dunes will become shorter and lower. As the sand rate increases, the height of the sand bank rapidly increases.

Cloud–Cloud Collision: Formation of Hub-filament Systems and Associated Gas Kinematics. Mass-collecting Cone—A New Signature of Cloud–Cloud Collision

Massive star-forming regions (MSFRs) are commonly associated with hub-filament systems (HFSs) and sites of cloud–cloud collision (CCC). Recent observational studies of some MSFRs suggest a possible connection between CCC and the formation of HFSs. To understand this connection, we analyzed the magnetohydrodynamic simulation data from Inoue et al. This simulation involves the collision of a spherical turbulent molecular cloud with a plane-parallel sea of dense molecular gas at a relative velocity of about 10 km s−1. Following the collision, the turbulent and nonuniform cloud undergoes shock compression, rapidly developing filamentary structures within the compressed layer. We found that CCC can lead to the formation of HFSs, which is the combined effect of turbulence, shock compression, magnetic field, and gravity. The collision between the cloud components shapes the filaments into a cone and drives inward flows among them. These inward flows merge at the vertex of the cone, rapidly accumulating high-density gas, which can lead to the formation of massive star(s). The cone acts as a mass-collecting machine, involving a nongravitational early process of filament formation, followed by gravitational gas attraction to finalize the HFS. The gas distribution in the position–velocity (PV) and position–position spaces highlights the challenges in detecting two cloud components and confirming their complementary distribution if the colliding clouds have a large size difference. However, such CCC events can be confirmed by the PV diagrams presenting gas flow toward the vertex of the cone, which hosts gravitationally collapsing high-density objects, and by the magnetic field morphology curved toward the direction of the collision.

Effects of stellar feedback on cores in STARFORGE

Stars form in dense cores within molecular clouds, and newly formed stars influence their natal environments. How stellar feedback impacts core properties and evolution has been the subject of extensive investigation. We performed a hierarchical clustering (dendrogram) analysis of a STARFORGE (STAR FORmation in Gaseous Environments) simulation, modelling a giant molecular cloud to identify gas overdensities (cores) and study changes in their radius, mass, velocity dispersion, and virial parameter with respect to stellar feedback. We binned these cores on the basis of the fraction of gas affected by protostellar outflows, stellar winds, and supernovae and analysed the property distributions for each feedback bin. We find that cores that experience more feedback influence are smaller. Feedback notably enhances the velocity dispersion and virial parameter of the cores, more so than it reduces their radius. This is also evident in the linewidth–size relation, according to which cores in higher-feedback bins exhibit higher velocities than their similarly sized pristine counterparts. We conclude that stellar feedback mechanisms, which impart momentum to the molecular cloud, simultaneously compress and disperse the dense molecular gas.

A new analytic approach to infer the cosmic-ray ionization rate in hot molecular cores from HCO+, N2H+, and CO observations

Context. The cosmic-ray ionization rate (ζ2) is one of the key parameters in star formation, since it regulates the chemical and dynamical evolution of molecular clouds by ionizing molecules and determining the coupling between the magnetic field and gas. Aims. However, measurements of ζ2 in dense clouds (e.g., nH ≥ 104 cm−3) are difficult and sensitive to the model assumptions. The aim is to find a convenient analytic approach that can be used in high-mass star-forming regions (HMSFRs), especially for warm gas environments such as hot molecular cores (HMCs). Methods. We propose a new analytic approach to calculate ζ2 through HCO+, N2H+, and CO measurements. By comparing our method with various astrochemical models and with observations found in the literature, we identify the parameter space for which the analytic approach is applicable. Results. Our method gives a good approximation, to within 50%, of ζ2 in dense and warm gas (e.g., nH ≥ 104 cm−3, T = 50, 100 K) for AV ≥ 4 mag and t ≥ 2 × 104 yr at Solar metallicity. The analytic approach gives better results for higher densities. However, it starts to underestimate ζ2 at low metallicity (Z = 0.1 Z⊙) when the value is too high (ζ2 ≥ 3 × 10−15 s−1). By applying our method to the OMC-2 FIR4 envelope and the L1157-B1 shock region, we find ζ2 values of (1.0 ± 0.3) × 10−14 s−1 and (2.2 ± 0.4) × 10−16 s−1, consistent with those previously reported. Conclusions. We calculate ζ2 toward a total of 82 samples in HMSFRs, finding that the average value of ζ2 toward all HMC samples (ζ2 = (7.4±5.0)×10−16 s−1) is more than an order of magnitude higher than the theoretical prediction of cosmic-ray attenuation models, favoring the scenario that locally accelerated cosmic rays in embedded protostars should be responsible for the observed high ζ2.

A new measurement of the Galactic 12C/13C gradient from sensitive HCO+ absorption observations

We present a new constraint on the Galactic 12C/13C gradient with sensitive HCO+ absorption observations against strong continuum sources. The new measurements suffer less from beam dilution, optical depths, and chemical fractionation, allowing us to derive the isotopic ratios precisely. The measured 12C/13C ratio in the solar neighborhood (66±5) is consistent with those obtained from CH+. Two measurements toward the GC are 42.2±1.7 and 37.5±6.5. Though the values are a factor of two to three higher than those derived from dense gas tracers (e.g., H2CO, complex organic molecules) toward Sagittarius (Sgr) B2 regions, our results are consistent with the absorption measurements from c-C3H2 toward Sgr B2 (~40) and those from CH+ toward Sgr A* and Sgr B2(N) (>30). We have calculated a new Galactic 12C/13C gradient of (6.4±1.9)RGC/kpc+(25.9±10.5) and found an increasing trend of the 12C/13C gradient obtained from high-density to low-density gas tracers, suggesting that opacity effects and chemical fractionation may have a strong impact on the isotopic ratios observed in high-density regions.

Quantitative appraisal of tectonically-influenced hydrocarbon-bearing Late-Cretaceous fluvial depositional system, Southwest Pakistan using spectral waveform-based instantaneous lateral thickness variability static simulations

Quantitative seismic reservoir characterization is one of the finest advancements in seismic technologies for sub-surface exploration of fluvial depositional systems (FDSS). These FDSS energy resources are combinations of thinly distributed gas-bearing trapping configurations such as the meander sandy channels (CH) along with aggradational parasequences (PBARS) of transgressive system tract (TST), which are developed during the extensive rise of sea-level followed by the rigorous standstill, and hence, which fills the PBARS and CH stratigraphic traps with possible hydrocarbons due to vertical and lateral changes in the facies. These thin-bedded CH and PBARS are very sensitive to a certain frequency component, which bandlimited seismic amplitudes (product of density and velocity) fail to quantify the paleo-thickness, paleo-velocities, paleo-densities, paleo-inclinations, paleo-geomorphology, vertical and lateral extents etc. of the stratigraphic traps. These parameters provide deep insights for quantitative-based stratigraphic reservoir characterizations. This study utilizes the spectral acoustic waveform seismic components and broadband spectrally-decomposed acoustic spectral waveform-based instantaneous lateral thickness variability static simulations (SLTRS) to quantify the FDSS of Southwest Pakistan. The 9–57 Hz bandwidth processed frequency volume reveals a poor tuning frequency component of 28 Hz and lateral extent of the stratigraphic, which failed to predict the direct geomorphology of PBARS and CH. 43-Hz spectral waveform could reveal the geomorphology with parallel-to-wavy seismic reflections (SRCS) for indicating the presence of meandering channels and PBARS. However, this attribute failed to predict the stratigraphic pinch-out zones and exact paleo-inclination of the PBARS and CH. The SLTRS have resolved the parallel-to-wavy SRCS with seismic sedimentological constraints, i.e., lithology-impedance contrast, phase of hydrocarbon generation, tuning frequencies, and thickness of the stratigraphic reservoir configurations, which implicates the channels systems at the shelf position of the basin. These attributes were unable to be predicted using the bandlimited seismic amplitudes. The SLTRS have simulated the gas zone with 2.921 gm./c.c simulated gas density [SGD], 7880 m/s simulated gas velocity [SGV], 19–25 m simulated gas thickness [SGT], and 1° simulated inclination of PBARS, which implicates the high sinuosity CH and PBARS stratigraphic trap [SAS]. Similarly, for transgressive-to-retrogradational sealing configurations, SLTRS have resolved 2.864 gm./c.c [SGD], 7365 [m/s] [SGV], 12–14 m simulated seal thickness [SST], and >2° inclination, which implicates the transgressive seal. The vertical and lateral extend of the stratigraphic trap was 16 m (proximal locations) (eastern margins) to 60 m (basin wards) (western margins) of the gas field. The quantitative uncertainty analysis between the SGD [gm./c.c], SGT [m] and SGV [m/s] show a very strong R2 > 0.90 with robust sea-level trends and the development of the aggradational to retrogradational parasequences. 43 Hz spectral waveform-based SLTRS have imaged very strong lateral amplitude attenuations observed from the 2.883 to 2.864 gm./c.c [SGD], 22–21 m [SGT] on inverted density simulations, 7535–7365 m/s [SGV] on inverted velocity simulations, and 19–15 m [SGT], which confirms the development of the hydrocarbon-bearing PBARS during the standstill sea-level of TST. Consequently, these stratigraphic endeavours may serve as an analogue for the worldwide exploration of FDSS with similar geology and basin configurations.

Modeling the stability of air flows in inclined workings in case of fire

Purpose. Development of a mathematical model and study of the processes occurring during conveyor belt fires in inclined mines to determine the mechanism of air flow distribution under appropriate conditions. Methods. Practical measurements of the distribution of air flows in an inclined conveyor operated at the mining and processing plant of PJSC ArcelorMittal Kryvyi Rih were carried out. Based on the obtained data, a mathematical model was crea-ted, which was then used to perform Computational Fluid Dynamics (CFD) modeling of gas flows in the mine under normal conditions and in the event of a fire with a thermal capacity of 9 MW. Findings. The study reveals the peculiarities of gas flows during the combustion of a conveyor belt in inclined workings, as well as the influence of turbulence on the flow, changes in the density of gases during heating, and the impact of gravity on the distribution of gases in the cross-section and along the length of the workings. A fire centre with a heat output of 9 MW has a significant impact on the distribution of air flows. The phenomenon of thermal expansion results in a 59.2% increase in the volume of gases behind the fire. The thermal expansion of gases and their low density have a significant impact on the formation of gas flows in inclined workings. As the jet moves away from the centre of the fire, the velocity of the jet gradually increases, reaching a value of 12.4 m/s. This results in a notable alteration in the distribution of total pressure across adjacent workings, accompanied by an increase in flow turbulence. Consequently, the mass of air exiting the right branch is observed to have a five-fold increase in comparison to the pre-fire state. The overturning of the jet from the left branch of the workings gives rise to the exclusive distribution of combustion products along the right branch. Originality. The study helps to understand the mechanism of jet overturning and the peculiarities of the distribution of combustion products in case of fire in inclined conveyor workings. Practical implications. The results of the research allow us to predict the probability of fire, identify the most dangerous areas for fire, and plan the most rational actions for firefighting in specific unique conditions.

Gate tunable edge magnetoplasmon resonators

AbstractQuantum Hall systems are platforms of choice to study topological properties of condensed matter systems and anyonic exchange statistics. In this work we have developed a tunable radiofrequency edge magnetoplasmonic resonator controlled by both the magnetic field and a set of electrostatic gates, meant to serve as a versatile platform for future interferometric devices designed to evidence non-abelian anyons. In our device, gates allow us to change both the size of the resonant cavity and the electronic density of the two-dimensional electron gas. We show that we can continuously control the frequency response of our resonator, making it possible to develop an edge magnetoplasmon interferometer. As we reach smaller sizes of our resonator, finite size effects caused by the measurement probes manifest. In the future, such device will be a valuable tool to investigate the properties of non-abelian anyons in the fractional quantum Hall regime.

The Densities in Diffuse and Translucent Molecular Clouds: Estimates from Observations of C2 and from Three-dimensional Extinction Maps

Newly computed collisional rate coefficients for the excitation of C2 in collisions with H2, presented recently by Najar & Kalugina, are significantly larger than the values adopted previously in models for the excitation of the C2 molecule, a widely used probe of the interstellar gas density. With these new rate coefficients, we have modeled the C2 rotational distributions inferred from visible and ultraviolet absorption observations of electronic transitions of C2 toward a collection of 46 nearby background sources. The inferred gas densities in the foreground interstellar clouds responsible for the observed C2 absorption are a factor 4–7 smaller than those inferred previously, a direct reflection of the larger collisional rate coefficients computed by Najar & Kalugina. These lower-density estimates are generally in good agreement with the peak densities inferred from 3D extinction maps for the relevant sight lines. In cases where H3+ absorption has also been observed and used to estimate the cosmic-ray ionization rate (CRIR), our estimates of the latter will also decrease accordingly because the H3+ abundance is a function of the ratio of the CRIR to the gas density.

Reevaluation of the Cosmic-Ray Ionization Rate in Diffuse Clouds

All current estimates of the cosmic-ray (CR) ionization rate rely on assessments of the gas density along the probed sight lines. Until now, these have been based on observations of different tracers, with C2 being the most widely used in diffuse molecular clouds for this purpose. However, dust extinction maps have recently reached sufficient accuracy to give an independent measurement of the gas density on parsec scales. In addition, they allow us to identify the gas clumps along each sight line, thus localizing the regions where CR ionization is probed. We reevaluate H3+ observations, which are often considered as the most reliable method to measure the H2 ionization rate ζH2 in diffuse clouds. The peak density values derived from the extinction maps for 12 analyzed sight lines turn out to be, on average, an order of magnitude lower than the previous estimates and agree with the values obtained from revised analysis of C2 data. We use the extinction maps in combination with the 3d-pdr code to self-consistently compute the H3+ and H2 abundances in the identified clumps for different values of ζH2 . For each sight line, we obtain the optimum value by comparing the simulation results with observations. We show that ζH2 is systematically reduced with respect to the earlier estimates by a factor of ≈9 on average, to ≈6 × 10−17 s−1, primarily as a result of the density reduction. We emphasize that these results have profound consequences for all available measurements of the ionization rate.

Slow and steady does the trick: Slow outflows enhance the fragmentation of molecular clouds

Most massive galaxies host a supermassive black hole at their centre. Matter accretion creates an active galactic nucleus (AGN), forming a relativistic particle wind. The wind heats and pushes the interstellar medium, producing galactic-wide outflows. Fast outflows remove the gas from galaxies and quench star formation, and while slower ($v<500$ km s$^ $) outflows are ubiquitous, their effect is less clear but can be both positive and negative. We wish to understand the conditions required for positive feedback. We investigated the effect that slow and warm-hot outflows have on the dense gas clouds in the host galaxy. We aim to constrain the region of outflow and cloud parameter space, if any, where the passage of the outflow enhances star formation. We used numerical simulations of virtual `wind tunnels' to investigate the interaction of isolated turbulent spherical clouds ($10^ $ M$_ sun $) with slow outflows ($10$ km s$^ out 400$ km $) spanning a wide range of temperatures ($10^ $ K). We modelled 57 systems in total. We find that warm outflows compress the clouds and enhance gas fragmentation at velocities $ leq 200$ km s$^ $, while hot ($T_ out = 10^6$ K) outflows increase fragmentation rates even at moderate velocities of $400$ km s$^ $. Cloud acceleration, on the other hand, is typically inefficient, with dense gas only attaining velocities of $ 0.1 v_ out We suggest three primary scenarios where positive feedback on star formation is viable: stationary cloud compression by slow outflows in low-powered AGN, sporadic enhancement in shear flow layers formed by luminous AGN, and self-compression in fragmenting AGN-driven outflows. We also consider other potential scenarios where suitable conditions arise, such as compression of galaxy discs and supernova explosions. Our results are consistent with current observational constraints and with previous works investigating triggered star formation in these disparate domains.

ScAlInN/GaN heterostructures grown by molecular beam epitaxy

Rare-earth (RE) elements doped III-nitride semiconductors have garnered attention for their potential in advanced high-frequency and high-power electronic applications. We report on the molecular beam epitaxy of quaternary alloy ScAlInN, which is an encouraging strategy to improve the heterointerface quality when grown at relatively low temperatures. Monocrystalline wurtzite phase and uniform domain structures are achieved in ScAlInN/GaN heterostructures, featuring atomically sharp interface. ScAlInN (the Sc content in the ScAlN fraction is 14%) films with lower In contents (less than 6%) are nearly lattice matched to GaN, exhibiting negligible in-plane strain, which are excellent barrier layer candidates for GaN high electron mobility transistors (HEMTs). Using a 15-nm-thick Sc0.13Al0.83In0.04N as a barrier layer in GaN HEMT, a two-dimensional electron gas density of 4.00 × 1013 cm−2 and a Hall mobility of 928 cm2/V s, with a corresponding sheet resistance of 169 Ω/□, have been achieved. This work underscores the potential of alloy engineering to adjust lattice parameters, bandgap, polarization, interfaces, and strain in emerging RE-III-nitrides, paving the way for their use in next-generation optoelectronic, electronic, acoustic, and ferroelectric applications.

Understanding flame behaviors under gradient magnetic fields: The dynamics of non-reacting gas jets

Gradient magnetic fields impact fluid dynamics through Kelvin forces, altering flame behavior. Key complexities such as the interaction of magnetic fields with thermal gradients and chemical reactions within flames remain largely unexplored. By isolating variables such as heat release and thermal convection, this study aims to delve into fundamental mechanisms by which gradient magnetic fields affect the fluid dynamics of flames. This research adopts nitrogen, helium, argon and oxygen as jet gases, focusing exclusively on the fluid dynamics of non-reacting flow. Experimental techniques and Computational Fluid Dynamics (CFD) simulations are employed to explore the effects of varying gas species and magnetic field strengths. Results demonstrate that gas density significantly impacts jet behavior, with paramagnetic oxygen concentrating in areas of stronger magnetic fields, and other gases like helium, nitrogen, and argon showing distinct behaviors based on their molar mass. The study also establishes an optimized energy conservation equation that accurately predict jet height, considering factors such as buoyant and Kelvin forces. By studying the flow behavior of non-reacting gases under magnetic fields, the results are ultimately extended to estimate flame heights and elucidate the mechanisms of air-to-fuel diffusion.

Deformation-induced gas adsorption and self-desorption dynamics of a carbon nano-network: Molecular dynamics modeling focusing on CO2 capture

Gas adsorption and separation/desorption are two pivotal stages in gas capture, demanding additional energy for liberating gas molecules from the adsorbent. Hence, it’s essential to engineer an adsorbent with minimal energy consumption yet effective gas adsorption–desorption characteristics. Accordingly, this research introduces a carbon nano-network (CNN) material capable of inhaling and exhaling gases via self-deformation. Molecular dynamics simulations demonstrate that the gas adsorption–desorption capabilities of CNN can be efficiently regulated by its deformation. While the size of CNN minimally affects the gas sorption rate, a larger CNN necessitates a prolonged duration to achieve saturation under identical gas conditions. Incorporating elongated appendages in CNN enhances both its stability during contraction and its efficiencies in gas adsorption and desorption. We discerned that attaining a critical gas density within a confined space is imperative to initiate self-desorption of CNN. Specifically, if the gas density dips below this critical threshold–set at 5.2 times that of CO2 at room temperature (300 K) and atmospheric pressure (1 Bar)–CNN exhibits no self-desorption capability. Nevertheless, even a marginal elevation in gas density triggers and maintains self-desorption with a consistently surpassing desorption ratio of 98 %. This discovery offers valuable insights for designing automatic self-desorption materials or apparatuses.

CHARMM36 All-Atom Gas Model for Lipid Nanobubble Simulation.

Lipid nanobubbles with different gas cores may integrate the biocompatibility of lipids, powerful physicochemical properties of nanobubbles, and therapeutic effects of gas molecules, which thus promote enormous biomedical applications such as ultrasound molecular imaging, gene/drug delivery, and gas therapy. In order for further more precise applications, the exact molecular mechanisms for the interactions between lipid nanobubbles and biological systems should be studied. Molecular dynamics (MD) simulation provides a powerful computational tool for this purpose. However, previous state-of-the-art MD simulations of free gas nanobubble/lipid nanobubble employed the vacuum as their gas cores, which is not suitable for studying the interactions between functional lipid nanobubbles and biological systems and revealing the biological roles of gas molecules. Hence, in this work, we developed and optimized the CHARMM36 all-atom gas parameters for six gases including N2, O2, H2, CO, CO2, and SO2, which accurately reproduced the gas density at different pressures as well as the spontaneous formation of gas nanobubbles. Subsequent applications of these gas parameters for lipid nanobubble simulations also reproduced the self-assembly process of the lipid nanobubble. We further developed a Python script to generate all-atom lipid nanobubble simulation systems, which was proven to be efficient for all-atom MD simulations of lipid nanobubbles and to be able to capture the exact dynamics of gas molecules at the gas-lipid and lipid-water interfaces of the lipid nanobubble. In summary, the all-atom gas models proposed in this work are suitable for simulating free gas nanobubbles and lipid nanobubbles, which are supposed to overcome the shortcomings of previous state-of-the-art MD simulations with the vacuum replacing the gas core and play key roles in revealing the molecular-level interactions between lipid nanobubbles and biological systems.

Exact stark analytical function for Hα line based on the FFM model related with plasma parameters

Optical Emission Spectroscopy is a widely used technique for plasma diagnosis, with particular interest in hydrogen atomic emission due to its prevalence in plasmas. However, accurately determining plasma parameters like electron density, electron temperature, and gas temperature starting from the experimental profiles remains a challenge. This paper introduces a comprehensive model for Stark broadening of the Hα line in a wide range of plasma conditions, addressing the limitations of existing analytical expressions for line shapes. The proposed model encompasses the full splitting of the transition into fifteen Lorentzian profiles and electric micro-field fluctuations surrounding the emitting atoms due to collisions with charged particles. Starting from accurate spectral data obtained from realistic computer simulations, fitting parameters of the model, have been obtained by using an optimization method based on a genetic algorithm. The set of parameters of the model are reported for a wide range of plasma conditions. The behavior of these parameters is analyzed to understand their dependence in terms of the electron density and temperature and gas density of the plasma. The model parameters here obtained constitute a useful tool in plasma diagnosis to obtaining the values of the physical parameters of the plasma starting from the experimental profiles.

Analysis of Leakage and Diffusion Characteristics and Hazard Range Determination of Buried Hydrogen-Blended Natural Gas Pipeline Based on CFD.

Injecting hydrogen into natural gas pipelines is an economical and efficient method of hydrogen transportation. However, the addition of hydrogen leads to significant hydrogen corrosion and embrittlement in the pipelines, especially in harsh and concealed underground conditions, where leak accidents are frequent and difficult to detect. This Article uses Le Chatelier's Principle to determine the hazardous range of hydrogen-blended natural gas (HBNG) by employing numerical simulation, it examines the gas leakage and diffusion characteristics before and after hydrogen injection as well as under different hydrogen blending ratio (HBR). Additionally, considering the density of the mixed gas, a prediction model for the diffusion hazard range of hydrogen-mixed natural gas is established based on multivariate regression theory. The results show that after a leakage occurs in HBNG the diffusion range in soil is wider compared to methane, with higher corresponding pressure and velocity values. Moreover, as the HBR increases, the farthest danger range (FDR) of the HBNG also increases. When the leakage of the buried HBNG pipeline occurs for 1 min, the difference in FDR between HBR 25% and HBR 5% is 0.005 m. After 30 min, this difference increases to 0.019 m, indicating that with longer leakage duration, the potential explosion risk resulting from increased HBR becomes greater. Factors such as pipeline pressure increase, larger leak hole size, and decreased burial depth all contribute to an increase in FDR, with pipeline pressure change having the greatest impact and burial depth change having the smallest impact. The maximum error of the predicted model for the diffusion hazard range of hydrogen-mixed natural gas is 9.385%, and the average error is 2.376%, demonstrating the accuracy of the prediction results. This study provides guidance for monitoring underground hydrogen-blended natural gas pipeline leaks, offers a basis for determining the repair range of pipelines, and ensures the safe transportation of hydrogen-mixed natural gas pipelines.