Gaseous Medium Research Articles

Influence of metal oxides on circumcorannulene for the design of new push-pull corannulene models: applications in nano-electronics, optoelectronics and non-linear optics

ABSTRACT The search for new high-performance push-pull materials for use in nonlinear optics (NLO) and optics is currently a popular area of research. In this study, the effects of metal oxides -(MO) n = 1,2 (monomer: MO=TiO2, CuO, Al2O3, and ZnO; and dimer: MO = Ti2O4, Cu2O2, Al4O6, and Zn2O2) on the electronic, absorption, optoelectronic and NLO characteristics of circumcorannulene (CO) in the gas phase and in acetonitrile have been investigated using density functional theory (DFT) and time-dependent density functional theory (TD-DFT) at the B3LYP and CAM-B3LYP/6-311+G(d,p)/LANL2DZ levels of theory. Research has shown that adding metal oxides to CO leads to the formation of new push-pull CO derivatives. These derivatives include T1, U1, A1, Z1, T2, U2, A2, and Z2 formed from TiO2, CuO, Al2O3, ZnO, Ti2O4, Cu2O2, Al4O6, and Zn2O2 metal oxides, respectively. They exhibit excellent stability, low |HOMO-LUMO| gap energy, high NLO, and photocurrent responses compared to CO in gaseous media and polar solvents. However, it is interesting to note that the use of the copper oxide monomer configuration on corannulene family compounds is effective in improving their NLO response, while increasing the alumina chain proves necessary to improve their photocurrent response in the visible region.

Features of the photophoretic motion of an evaporating droplet in a viscous non-isothermal binary gas medium

A theoretical description of the photophoretic motion in a viscous nonisothermal binary gas mixture of a large evaporating spherical droplet with significant relative temperature differences in its vicinity is carried out in the quasi-stationary approximation for small Reynolds and Pecle numbers. When describing the properties of a gaseous medium, a power-law type of dependence of the coefficients of molecular transport (viscosity, diffusion and thermal conductivity) and density on temperature was taken into account. Numerical estimates have shown the nonlinear nature of the dependence of the photophoretic force and velocity on the average temperature of the droplet surface.

Stability Analysis of the Rotor-Journal Bearing System Considering Shear and Gaseous Cavitation

Part of the gas phase within the bearing emanates from the gaseous lubricating medium generated by the phase transition of the liquid lubricant under low pressure, while the remaining portion originates from the expansion of gases, such as air, present in the lubricant. This study delves into the impact of vapor and gas cavitation on the stability of the rotor-journal bearing system. Utilizing computational fluid dynamics (CFD), a 3D transient lubrication model is developed for the rotor-journal bearing system. This model integrates a combined cavitation approach, encompassing both vaporous and gaseous cavitation phenomena. Based on a new structured dynamic mesh method, the journal orbits are obtained when the journal moves in the rotor-journal bearing system. In vaporous and gaseous cavitation, shear stress and non-condensable gases (NCG) are incorporated successively. Compared with the combined cavitation model, the basic cavitation model journal orbit amplitude is significantly larger than the combined cavitation model. The carrying capacity of journal bearings under the basic cavitation model is overestimated, leading to a more conservative prediction for system stability.

Joint Analysis of the Iron Emission in the Optical and Near-Infrared Spectrum of I Zw 1

Constraining the physical conditions of the ionized media in the vicinity of an active supermassive black hole (SMBH) is crucial to understanding how these complex systems operate. Metal emission lines such as iron (Fe) are useful probes to trace the gaseous media’s abundance, activity, and evolution in these accreting systems. Among these, the Feii emission has been the focus of many prior studies to investigate the energetics, kinematics, and composition of the broad-emission line region (BELR) from where these emission lines are produced. In this paper, we present the first simultaneous Feii modeling in the optical and near-infrared (NIR) regions. We use cloudy photoionization code to simulate both spectral regions in the wavelength interval 4000–12,000 Å. We compare our model predictions with the observed line flux ratios for I Zw (Zwicky) 1—a prototypical strong Feii-emitting active galactic nuclei (AGNs). This allows setting constraints on the BLR cloud density and metal content that is optimal for the production of the Feii emission, which can be extended to I Zw 1-like sources by examining a broad parameter space. We demonstrate the salient and distinct features of the Feii pseudo-continuum in the optical and NIR, giving special attention to the effect of micro-turbulence on the intensity of the Feii emission.

Designing Thieno[3,4-c]pyrrole-4,6-dione Core-Based, A2-D-A1-D-A2-Type Acceptor Molecules for Promising Photovoltaic Parameters in Organic Photovoltaic Cells.

Nonfullerene-based organic solar cells can be utilized as favorable photovoltaic and optoelectronic devices due to their enhanced life span and efficiency. In this research, seven new molecules were designed to improve the working efficiency of organic solar cells by utilizing a terminal acceptor modification approach. The perceived A2-D-A1-D-A2 configuration-based molecules possess a lower band gap ranging from 1.95 to 2.21 eV compared to the pre-existing reference molecule (RW), which has a band gap of 2.23 eV. The modified molecules also exhibit higher λmax values ranging from 672 to 768 nm in the gaseous and 715-839 nm in solvent phases, respectively, as compared to the (RW) molecule, which has λmax values at 673 and 719 nm in gas and chloroform medium, respectively. The ground state geometries, molecular planarity parameter, and span of deviation from the plane were analyzed to study the planarity of all of the molecules. The natural transition orbitals, the density of state, molecular electrostatic potential, noncovalent interactions, frontier molecular orbitals, and transition density matrix analysis of all studied molecules were executed to validate the optoelectronic properties of these molecules. Improved charge mobilities and dipole moments were observed, as newly designed molecules possessed lower internal reorganization energies. The open circuit voltage (Voc) of W4, W5, W6, and W7 among newly designed molecules was improved as compared to the reference molecule. These results elaborate on the superiority of these novel-designed molecules over the pre-existing (RW) molecule as potential blocks for better organic solar cell applications.

Enhancement in the magneto-optical effect induced by combining multiple modes in a gold film–supported hybrid periodic gold/magnetic nanorod array

In this study, the possibility of enhanced transverse magneto-optical Kerr effect (TMOKE) and performance monitoring of a hybrid nanostructure developed by sandwiching a ferromagnetic film within a gold layer and square periodic nanorod arrays, is theoretically investigated. Based on the findings, the TMOKE signal can be enhanced approximately 33 times when compared to the referenced planar film, which is elucidated by the hybrid of modes in the magnetic film region. In addition, a high level of environmental sensor performance is simultaneously achieved by recording the wavelength resonance positions with the variation of refractive index, which is compatible with gaseous medium from 1 to 1.01, indicating that the structure of the proposal will have applications in environmental monitoring.

Investigation of terahertz radiation generation from laser-wakefield acceleration

We investigate the generation of terahertz (THz) radiation from laser-wakefield acceleration (LWFA) in a helium gas jet. We consider a three-dimensional setup incorporating a realistic gas density distribution and use particle-in-cell simulations to study the interaction of a femtosecond intense laser pulse with the gas medium. Our results show that LWFA can efficiently produce THz radiation. In the simulations, we use multiple probes to record the electric and magnetic fields arising from the interaction. In addition, we compare the results of fixed and moving window simulation boxes used to capture electromagnetic fields in the THz range. We demonstrate that a moving window with a 600 μm width can be significantly useful for THz studies. We further analyze the spectrum of spatially and temporally resolved electromagnetic radiation and its emission angle. Our results are consistent with experimental data. Our findings provide valuable insights into the potential of LWFA as a strong source of THz radiation.

In-situ formation of ultra-hard titanium-based composite coatings on carbon steel through electro-spark deposition in different gas media

In the current study, ultra-hard TiC, TiN, and Ti(C,N) layers were in-situ formed on carbon steel substrate using pure titanium electrode via electro-spark deposition (ESD) in argon, nitrogen, argon/nitrogen, and air atmospheres. The synthesized coatings were characterized using various techniques, including FE-SEM/EDS, X-ray diffractometry, Raman spectroscopy, microhardness and nanoindentation tests, and surface roughness measurement. Also, a thermodynamic simulation was executed to estimate the phase-stability. Fe5C2, TiN, Fe3N, and Ti2O3 were determined as the major phases formed under the argon, nitrogen, Ar/N2, and air atmospheres, respectively. The formation of martensite at the interface of the coating and substrate in all atmospheres indicates the capability of the ESD process for surface hardening. The observed discrepancies between the empirically formed phases and the thermodynamics prediction can be related to the non-equilibrium conditions of the ESD process. It was revealed that gaseous media such as argon and nitrogen serve as a protective/active environment in the titanium/steel system. It is proposed that the electro-sparking of titanium under the active nitrogen medium follows an avalanche plasma regime. Under the argon flow, FeTi intermetallic layer is formed. Whilst, electro-sparking in ambient air leads to the formation of various Fe-Ti-O compounds, as well as different TiOn oxides. On the other hand, the utilization of nitrogen gas during the ESD increases the surface roughness and the thickness of the coating, rather than the deposition under the argon flow, due to the extra heat of reactions. The dynamic reactions occur between pure titanium, nitrogen, carbon, and oxygen, leading to the initial formation of Ti(C,N) at the top surface, followed by the production of titanium oxides in the middle layer. The coexistence of the super-hard Ti(C,N) with a hardness of 3130 HV at the top surface and titanium nitrides beneath it in a gradient mode effectively impedes the crack propagation.

Dopamine adsorption on OH-functionalized metal phthalocyanines [MPc] (M = Mg, Co) in gas and solvent (water, ethanol) medium: A DFT study

The sensing behavior of the neurotransmitter dopamine (DA) on metal phthalocyanines (MPcs), specifically containing cobalt (CoPc) and magnesium (MgPc) in the presence of solvents (water and ethanol), was investigated using density functional theory (DFT). The outcomes of our study demonstrate that both Mg-Pc and Co-Pc exhibit a higher affinity towards dopamine molecules. The negative values of enthalpy and Gibbs free energy and entropy suggest that the adsorption process is exothermic, spontaneous, reversible, and thermodynamically favorable. Further, the charge transfer and conduction capacity of both Mg-Pc and Co-Pc indicate their potential as sensitive materials for dopamine biosensors. Furthermore, the high recovery time and sensitivity indicate both the materials perform exceptionally well in water, as dopamine sensors with slight edges favouring the DA/CoPc complex.

Evaluation of weak discontinuity in rotating medium with magnetic field, characteristic shock and weak discontinuity interaction

Abstract In this article we investigated the characteristic shock and weak discontinuity wave in a rotating medium of perfect gas in the case of one-dimensional (1-D) adiabatic motion under an axial magnetic field governed by the system of PDEs (partial differential equations). We have obtained some classes of analytical solutions of the system of PDEs that demonstrates the time-space dependency. With change in the values of rotational parameter, adiabatic index and the ratio of initial magnetic pressure to dynamic pressure, effect on the acceleration wave’s amplitude and jump in the flow variables across the characteristic shock is analyzed in detail. We have obtained an expression for the jump in shock acceleration, the amplitudes of transmitted and reflected waves caused by the incident wave on the characteristic shock after the interaction of a weak discontinuity. It is investigated that the jump function across the characteristic shock decay effect, and goes to 0 as time t → ∞, whereas a weak discontinuity wave may culminate into a shock wave, depending on the initial amplitude value. It is also found that the shock formation time reduces due to the consideration of magnetic field or rotating medium.

Synthesis, spectroscopic, chemical reactivity, topology analysis and molecular docking study of ethyl 5-hydroxy-2-thioxo-4-(p-tolyl)-6-(trifluoromethyl)hexahydropyrimidine-5-carboxylate

The organofluorine hexahydropyrimidine derivatives are used in the drug discovery due to its steric nature to hydrogen and its extreme electronegativity. The Ethyl 5-hydroxy-2-thioxo-4-(p-tolyl)-6-(trifluoromethyl)hexahydropyrimidine-5-carboxylate (ETP5C) compound was synthesized and characterized by NMR (13C and 1H), FT-IR and UV–Vis spectroscopic techniques for experimentally and theoretically and elemental analyses, mass spectra also investigated. The most stable structure of synthesized molecule was studied by PES analysis in gas and liquid medium. The structural parameters such as bond length and bond angle of the title molecule have been obtained by DFT/B3LYP/6–311++G (d,p) set and compared with the structurally related experimental data of the compounds. The π-to-π* transition of the ETP5C molecule is identified using UV–Vis absorption spectral analysis. In addition, the chemical stability and reactivity are investigated using HOMO-LUMO analysis. The minimal HOMO-LUMO energy gap (4.6255 eV) clearly explains that the ETP5C molecule is more reactive for receptors. The nucleophilic and electrophilic regions such as active sites have been shown by MEP, ELF, LOL and Fukui functions. The second order optical effect has been explained by NLO analysis. The docking was performed with antineoplastic proteins that exhibit against the development of tumor cells.

Isolation and assessment of Pseudomonas aeruginosa and Bacillus cereus as PCB-degrading bacteria in environmental bioremediation

Classical methods of treatment of polychlorinated biphenyls (PCBs) in environmental matrices such as soil encapsulation, high-temperature heating, thermal desorption, and chemical decontamination, have been costly, and they leave behind problems of environmental footprints. They must therefore give way to bioremediation techniques which are less costly and result in eco-friendly products. The aim of the study was to assess the suitability of PCB degrading bacteria (using published data) from their environmental matrix for use in environmental bioremediation. Initial isolation of the bacteria was obtained by culturing ash samples taken from the combustion chamber of an MP400 Incinerator of infectious waste at Komfo Anokye Teaching hospital (KATH) in Kumasi, Ghana, and composite soil samples taken from a transformer-servicing site at an electricity substation in Sunyani, Ghana. Test for thermotolerance was carried out by the culturing of bacteria from the soil samples and exposing them to higher temperatures (55 °C and 65 °C) to assess their resilience in an incubator for 48 h. Growing cultures were sub-cultured, after which a cocktail of bacteria isolate characterization assays was carried out on the growing isolates. These included biochemical tests on the bacterial suspensions using the analytical profile index (API 20E) for examining Enterobacteriaceae and other non-fastidious bacteria. This was followed by MALDI-ToF-MS analyses of the bacterial strains to profile and image their proteins. A molecular step was needed which was the conventional polymerase chain reaction (PCR) method, using specific primer pairs, to amplify and accentuate sections of the bacterial DNA extracts. Results of the study showed a confirmed sample site in Ghana for harvesting bacteria capable of degrading polychlorinated biphenyls (PCBs). MALDI-ToF-MS analyses revealed the possible species as Pseudomonas aeruginosa and Bacillus cereus. The conventional PCR and gel electrophoresis steps confirmed the presence of bph genes encoding the 2,3-dioxygenase enzymes in bacteria with PCB-degrading ability as documented in published data. The serial dilution of the bacterial suspensions was modified from 10−7 to 10−5 which was enough for distinct colonies to be counted, and it was a novel contribution to environmental microbiology. The confirmation of Pseudomonas and Bacillus species isolated from a transformer oil-impacted soil in this study shows promise in growing these strains in various environmental media such as in a gaseous medium to mineralize gas-phase PCBs from combustion smoke or in bottom ash residues to degrade solid-phase PCBs. It can also be applied in bioremediation of waste liquid systems containing PCBs.

Some Remarks on the Phase Transformation of Gas Hydrates in Porous Sediments at Negative Celsius Temperatures

The article presents a solution to the problem of the phase transition of methane hydrate — methane-gas + ice in porous hydrate-containing sediments at a negative Celsius temperature in the medium. The numerical solution of the resulting system of differential equations of piezoand thermal conductivity makes it possible to effectively simulate the change in pressure and temperature in both time and space in a medium of any dimension during its heating or decompression. In this case, the medium is not subdivided into parts with varying phase states of methane hydrate. Instead, its sediment substance is considered as a single entity, with its physical properties changing in magnitude when the hydrates undergo phase transformation. As an example, the problem of the thermobaric regime of a heating spherical cavern containing ice, hydrate and free methane has been solved. This cavern is situated within a continuous gas-tight underground ice. The solution shows that although the temperature of the sphere surface increases considerably, the decomposition of hydrate only occurs in an extremely thin shell located directly between the surface and the displaced inward phase boundary.Over time, the stability conditions of hydrates establish anew but at a higher gas pressure and medium temperature. This phenomenon of severely limited decomposition of the hydrate in a closed gas-insulated space, nevertheless leading to an increase in pressure in it, is, apparently, the basic process that provides the “self-preservation” of methane hydrates.

A Brief Review on Catalytic Treatment of Volatile Organic Compounds by Zeolite Based Heterogeneous Catalysts in Liquid and Gaseous Medium

A Brief Review on Catalytic Treatment of Volatile Organic Compounds by Zeolite Based Heterogeneous Catalysts in Liquid and Gaseous Medium

Levitation of air-borne strong-absorbing nanoparticle clusters dominated by photophorestic force and migration behavior under thermophorestic force

In order to explore the levitation and migration behavior of strongly absorbing nanoparticle clusters in air by using laser technique, in this study trapping and levitating nanoparticle clusters is proposed based on the counter-propagated bi-Bessel beams, and then the clusters are released to observe and analyze their migration behaviors. Two Bessel beams are generated by a conical lens and polarizing beam splitter, arranged horizontally in reverse to form a three-dimensional optical trap. The stiffness of the optical trap can be controlled by adjusting the power ratio of the two Bessel beams. The particles in the levitation chamber are fluidized through weak airflow, and then captured and levitated by a light trap. A high-speed camera is used to record the levitation and migration process of clusters. The particle motion parameters can be obtained through image analysis. The strong-absorbing ultrafine coal particle clusters are first selected to conduct the experiments on their levitation and release migration. Then, the photophorestic force, gravity, buoyancy, drag force, and thermophorestic force acting on the clusters are calculated and analyzed. The experimental and computational results indicate that the photophorestic force of air-borne strong-absorbing nanoparticle clusters generated by laser illumination dominates the levitation; nanoparticle clusters can be stably levitated in a three-dimensional potential well formed by counter-propagated bi-Bessel beams, achieving dynamic equilibrium with gravity, buoyancy, drag, etc. by adjusting the levitation position. The relative instability parameter of levitation is used to evaluate the stability of air-borne strong-absorbing nanoparticle clusters, and the minimum relative instability of ultrafine coal particle clusters reaches 0.075. By analyzing the images of nanoparticle cluster recorded by high-speed camera after being released, the migration motion parameters of the cluster can be obtained, therefore the thermophorestic force acting on the cluster is accurately measured. For the ultrafine coal particle clusters with equivalent particle sizes in a range of approximately 13–21 μm, the magnitudes of their thermophorestic forces are in a range of 10<sup>–11</sup>–10<sup>–10</sup> N. As the cluster size increases, the thermophorestic force increases linearly, which is consistent with the theoretical calculation trend. The use of laser to levitate and release particles provides a novel approach for measuring and analyzing thermophorestic force, and also presents a novel manipulation tool for controlling and transporting particles in a gaseous medium.

Hydrostatic pressure-induced reversible phase transformation in iron oxide nanoparticles.

We report hydrostatic pressure-induced reversible phase transformation in maghemite γ-Fe2O3 nanoparticles (cubic → tetragonal → cubic) using an in situ diamond anvil cell (DAC) technique. Thermal arc plasma-synthesized nanoparticles, particularly in a He gas medium, exhibit the reversible phase transformation under pressure ranging from 0 to 2.58 GPa. Rietveld refinement reflects that cubic to tetragonal maghemite phase transformation coexists with a cubic metallic Fe phase at 0.55 GPa pressure. The generation of two new superlattice reflections at 6.93° and 8.11°, respectively, reflects the phase transformation. The presence of a core-shell-type nanostructure observed from transmission electron microscopy micrographs is found to exhibit a spin glass shell-type behavior. This triggers pressure-induced fluctuating magnetization and interparticle interaction-induced surface anisotropy and spin disorder with broken bonds, translational symmetry, and incomplete coordination. This leads to overcoming the nucleation barrier at the surface, subsequently denser nucleation sites and increased nucleation probability. This further leads to an atomic rearrangement and tetragonality in the maghemite phase. Furthermore, with increasing pressure, the reversible structural change, i.e. from the tetragonal to cubic maghemite phase, has been explained in the light of the "internal stress model". The grains are again forced back to the cubic phase via generation of uniform compression along the c-axis and tension along the a and b axes. The spin glass behavior of the core-shell nanostructure along with the "internal stress model" explain the whole reversible phase transformation phenomenon in the γ-Fe2O3 phase.

First-principles study of a SiC nanosheet as an effective material for nitrosourea and carmustine anti-cancer drug delivery.

The development of novel nanosheet-based drug delivery systems requires a systematic understanding of the interactions between the drug and the nanosheet carrier under various physiological environments. In this work, we investigated electronic and quantum molecular descriptors of a SiC monolayer adsorbed with the anticancer drugs nitrosourea (NU) and carmustine (BCNU) using density functional theory (DFT). Our calculations revealed negative adsorption energies for both drugs, indicating a spontaneous and energetically favorable adsorption process. Density of states and orbital population analysis studies revealed that both drugs are capable of significantly (>30%) narrowing the gap between HOMO and LUMO, depending on the configuration of the adsorption complex. Furthermore, the electronic and quantum molecular descriptors were investigated in gas and water mediums to explore the effect of the solvent on the adsorption process. Our calculations predict a higher narrowing of the HOMO-LUMO gap in the water phase compared to the gas phase. Besides, a modest reduction in global hardness and a marked increase in the global electrophilicity index were observed after the adsorption of the drug molecules by the SiC nanosheet, indicating its high reactivity towards both NU and BCNU. Changing the medium to water showed a maximum 2× increase in the global electrophilicity index of the nanosheet for NU and a maximum 7× increase for BCNU. Additionally, the thermodynamic study of the adsorption process indicates that the formation energies at high temperatures are smaller than those at low temperatures, unfolding the potential of SiC nanosheet for application in the phototherapy of these drugs.

In silico study of inhibition activity of boceprevir drug against 2019-nCoV main protease.

Boceprevir drug is a ketoamide serine protease inhibitor with a linear peptidomimetic structure that exhibits inhibition activity against 2019-nCoV main protease. This paper reports electronic properties of boceprevir and its molecular docking as well as molecular dynamics simulation analysis with protein receptor. For this, the equilibrium structure of boceprevir has been obtained by DFT at B3LYP and ωB97XD levels with 6-311+G(d,p) basis set in gas and water mediums. HOMO-LUMO and absorption spectrum analysis have been used to evaluate the boceprevir's toxicity and photosensitivity, respectively. Molecular docking simulation has been performed to test the binding affinity of boceprevir with 2019-nCoV MPRO; which rendered a variety of desirable binding locations between the ligand and target protein's residue positions. The optimum binding location has been considered for molecular dynamics simulation. The findings have been addressed to clarify the boceprevir drug efficacy against the 2019-nCoV MPRO.

De novo transcriptome and lipidome analysis of Desmodesmus abundans under model flue gas reveals adaptive changes after ten years of acclimation to high CO2.

Microalgae's ability to mitigate flue gas is an attractive technology that can valorize gas components through biomass conversion. However, tolerance and growth must be ideal; therefore, acclimation strategies are suggested. Here, we compared the transcriptome and lipidome of Desmodesmus abundans strains acclimated to high CO2 (HCA) and low CO2 (LCA) under continuous supply of model flue gas (MFG) and incomplete culture medium (BG11-N-S). Initial growth and nitrogen consumption from MFG were superior in strain HCA, reaching maximum productivity a day before strain LCA. However, similar productivities were attained at the end of the run, probably because maximum photobioreactor capacity was reached. RNA-seq analysis during exponential growth resulted in 16,435 up-regulated and 4,219 down-regulated contigs in strain HCA compared to LCA. Most differentially expressed genes (DEGs) were related to nucleotides, amino acids, C fixation, central carbon metabolism, and proton pumps. In all pathways, a higher number of up-regulated contigs with a greater magnitude of change were observed in strain HCA. Also, cellular component GO terms of chloroplast and photosystems, N transporters, and secondary metabolic pathways of interest, such as starch and triacylglycerols (TG), exhibited this pattern. RT-qPCR confirmed N transporters expression. Lipidome analysis showed increased glycerophospholipids in strain HCA, while LCA exhibited glycerolipids. Cell structure and biomass composition also revealed strains differences. HCA possessed a thicker cell wall and presented a higher content of pigments, while LCA accumulated starch and lipids, validating transcriptome and lipidome data. Overall, results showed significant differences between strains, where characteristic features of adaptation and tolerance to high CO2 might be related to the capacity to maintain a higher flux of internal C, regulate intracellular acidification, active N transporters, and synthesis of essential macromolecules for photosynthetic growth.

Object decomposition and modeling gas-dynamic characteristics of industrial ventilation systems

The methodology for calculating the gas-dynamic characteristics of industrial ventilation systems based on their object decomposition is proposed. According to the design and technological principles in arbitrary ventilation system, the following typical settlement elements are distinguished: pressure sources or superchargers; sections of air ducts through which the movement of the gaseous medium is carried out; shut-off and regulation devices; technological devices ejecting or extracting the working medium from the system. Based on the analysis of the spatial and technological structure in the ventilation system, structural nodes and closed contourss are also distinguished. Taking into account the accepted mathematical models for the typical settlement elements, the generalized mathematical model is formed for calculating the parameters for the stationary mode of the ventilation system. The use of the proposed generalized mathematical model involves setting the following initial data: layout of elements in the system; geometric characteristics of constructive sections and coefficients of established local resistances; aerodynamic characteristics of shut-off and regulation devices; characteristics of pressure sources; elevation marks and temperature values at the nodal points; physical properties of the working medium; border conditions.