Hydrocarbon Mixtures Research Articles

Blending biomass-based liquid biofuels for a circular economy: Measuring and predicting density for biodiesel and hydrocarbon mixtures at high pressures and temperatures by machine learning approach

Circular economy is an efficient approach to deal with the rapidly increasing demand for energy and its environmental impact. It involves switching to renewable and sustainable energy sources. By providing an alternative to traditional energy resources, biodiesel promotes a circular economy paradigm that embraces renewable energies rather than fossil fuels. As an alternative to fossil fuels, liquid biodiesel helps to improve energy efficiency and reduce pollution. Furthermore, blending biodiesel has proven to be economically and environmentally viable. Knowledge of the thermodynamic properties of biodiesel, such as densities and coefficients of expansivity and compressibility, plays an important role in understanding and determining the behavior of the fuel under different operating conditions. The blend densities of Soybean Oil Biodiesel (SOB) with hexane and Waste Cooking Oil Biodiesel (WCOB) with heptane in four volume ratios were experimentally studied. An Anton Paar vibrating tube densimeter HPM DMA has been used for accurate measurements of densities of the biofuels and their blends. Density measurements were performed at temperatures ranging from 298.15 K to 393.15 K, and pressures between 0.1 MPa and 140 MPa. This work also aims to develop accurate prediction models of the properties of biodiesel blends under various conditions, such as changes in temperature and pressure, which are essential for optimizing energy production processes and engine performance. In this context, the dataset was first investigated with Tait Equation of State (Eos) to determine thermodynamic parameters which including isothermal compressibility and isobaric expansivity. It showed generally low standard deviations. Furthermore, these new experimental densities were also modeled with Artificial Neural Network (ANN) as a machine learning method. This paper models proved that the machine learning method is a suitable tool to model the thermo-physical characteristics of liquid fuels. The findings of this study have the potential to provide valuable guidance to engine engineering applications developers regarding operating conditions and the selection of suitable biodiesel for their system.

Understanding the Hazards of Hexane and Short-Term Exposure to Air Contaminated with Hexane Affects the Nervous System and can Cause Dizziness

Abstract: The term ‘hydrocarbon’ is self-explanatory which means compounds of carbon and hydrogen only. Hydrocarbons play a key role in our daily life. You must be familiar with the terms ‘LPG’ and ‘CNG’ used as fuels. LPG is the abbreviated form of liquified petroleum gas whereas CNG stands for compressed natural gas. Another term ‘LNG’ (liquified natural gas) is also in news these days. This is also a fuel and is obtained by liquifaction of natural gas. Petrol, diesel and kerosene oil are obtained by the fractional distillation of petroleum found under the earth’s crust. Coal gas is obtained by the destructive distillation of coal. Natural gas is found in upper strata during drilling of oil wells. The gas after compression is known as compressed natural gas. LPG is used as a domestic fuel with the least pollution. Kerosene oil is also used as a domestic fuel but it causes some pollution. Automobiles need fuels like petrol, diesel and CNG. Petrol and CNG operated automobiles cause less pollution. All these fuels contain mixture of hydrocarbons, which are sources of energy. Hydrocarbons are also used for the manufacture of polymers like polythene, polypropene, polystyrene etc. Higher hydrocarbons are used as solvents for paints. They are also used as the starting materials for manufacture of many dyes and drugs. Thus, you can well understand the importance of hydrocarbons in your daily life. In this unit, you will learn more about hydrocarbons

Molecular simulation of understanding the structure and separation thermodynamics of BTX (Benzene, Toluene, Xylene) using amino acid based ionic liquids

The separation of aromatics and aliphatic from the hydrocarbon mixture stands a significant challenge. In this manuscript we present atomistic molecular dynamic simulations to understand the structure and separation thermodynamic properties of BTX (Benzene, toluene, xylene) from n-heptane using ionic liquids. Here we considered the amino acid derived ionic liquid considering the tetra butyl phosphonium as cation and valine anion at three different temperatures 298 K, 323 K and 348 K. We observe that IL show strong intermolecular structure with BEN (benzene) when compared to TOL (toluene) and XYL (p-xylene). Based on the solvation free energy (ΔGsolv), transfer free energy (ΔGtransfer) and partition coefficient (log P) analysis of BEN show favourable for the transfer from n-heptane to IL phase when compared to TOL and XYL. Overall results presented in this paper provide molecular level understanding of the design of amino acid-based IL for the separation BTX from the hydrocarbon mixture.

Experimental study on Joule-Thomson refrigeration system with R1150/R290/R601a for ultra-low temperature medical freezer

Since the global outbreak of the COVID-19, the requirement for ultra-low temperature medical freezers has increased rapidly. Joule-Thomson refrigeration systems, known for their simple structure and low cost, are an excellent choice for ultra-low temperature medical freezers. To further improve the performance of Joule-Thomson system for large-capacity ultra-low temperature freezer, this study conducted a series of experiments on the performance of a ternary hydrocarbon mixture R1150/R290/R601a. The impacts of refrigerant charge, capillary tube size, compressor speed, and environmental temperature on the steady-state and dynamic performance were investigated in detail. The results showed that under a fixed system configuration and charge, the freezer can achieve an ultra-low temperature of −82.2 °C and a COP of 0.256 at an environmental temperature of 25 °C, while maintaining a low compressor pressure ratio not exceeding 12. Furthermore, the matching relationship between capillary size and charge was emphatically studied, and it was found that the optimal refrigerant charge increased as the inside diameter of the capillary tube decreased or its length increased. The inside diameter had a more significant effect on system performance than the length. The suitable charge was 225–275 g for capillary tubes with an inside diameter of 1.4 mm, and increased to 400–450 g for an inside diameter of 0.7 mm. In addition, the experiments with various compressor speeds indicated that, before the cabinet temperature dropped to −40 °C, the variation of compressor speed had little effect on the pull-down rate. However, the higher the compressor speed, the lower the cabinet temperature that can be achieved. When the speed was 3500 rpm, the system achieved its lowest daily energy consumption, which was 8.42 kW·h/24 h.

Experimental study on performance characteristics of a −70 °C ultra-low temperature medical freezer with mixed hydrocarbon refrigerant

It is well-known that the −70 °C ultra-low temperature freezers have been widely concerned for vaccine and biomedical products storage due to the outbreak of COVID-19. This paper carries out the experimental investigation on performance characteristics of a −70 °C ultra-low temperature medical freezer with single-stage Joule-Thomson refrigeration system by using binary hydrocarbon mixture R601a/R1150 and ternary mixture R601a/R290/R1150. The aim is to explore and verify hydrocarbon refrigerants that can achieve lower energy consumption, thereby providing a scientific basis for the optimization of ultra-low temperature medical freezers. The experimental results show that both R601a/R1150 and R601a/R290/R1150 with a charge of 250 g could achieve the refrigeration temperature below −70 °C in a 568 L large volume vertical freezer. Comparing binary with ternary refrigerants, it is found that the addition of medium-boiling component R290 is beneficial to reduce the daily energy consumption. When the mass fraction of R601a/R1150 is 0.70/0.30, the lowest daily energy consumption for −70 °C is 9.06 kW h·24 h−1. When the mass fraction of the R601a/R290/R1150 is 0.70/0.10/0.20, the daily energy consumption is 8.42 kW h·24 h−1, which is 7.06 % lower than that when using the R601a/R1150. This indicates that careful selection of refrigerant components and composition optimization can lead to substantial energy savings. Furthermore, it is also observed that among these three components, the low-boiling component R1150 has the most significant influence on the system pressures and operating power, followed by R601a and R290.

Multiscale screening of metal‐organic frameworks for one‐step ethylene purification in pressure‐swing adsorption processes

AbstractPurification of polymer‐grade (99.9%) C2H4 from C2 hydrocarbon mixture is industrially important but challenging. Cryogenic distillation is energy intensive. Recently, pressure/vacuum swing adsorption (P/VSA) processes using metal‐organic frameworks (MOFs) as adsorbents have been attracting increasing attention as an alternative technology. A multiscale hierarchical framework is proposed to select promising MOFs and design suitable P/VSA processes by combining property‐based material screening and model‐based process optimization. Using this framework, we successfully identified seven promising one‐step C2H4 purification MOFs that outperformed the benchmark TJT‐100 in both C2H4 purity and recovery for the 5/90/5 C2H2/C2H4/C2H6 feed mixture. Among them, OFUCAV exhibited the highest C2H4 productivity of 0.158 mol/m3/s while JAVTAC demonstrated the lowest energy consumption of 42.76 kWh/tonne. The latter can potentially save 80% of the energy consumption compared to cryogenic distillation. Moreover, these two P/VSA processes show very high robustness in response to composition fluctuations in the feed stream.

Liquefaction efficiency study of heterogeneous condensation of methane-ethane binary gas mixtures with different component contents

Natural gas is a mixture of hydrocarbons. During the liquefaction of natural gas, the mixed gas undergoes heterogeneous condensation on the surface of the heat exchanger. Currently, the heterogeneous condensation mechanism of mixed gases is not fully understood, and the influence of component content on the liquefaction efficiency is not clear. Therefore, the molecular dynamics simulation was employed to investigate the heterogeneous condensation process of methane-ethane binary mixed gas on a solid surface. The characteristics of condensation nucleation cluster growth was explored and the variations in temperature, density, heat flux, and liquefaction rate were analyzed. The impact of ethane on methane condensation was also discussed. The results indicate that increasing wettability enhances surface nucleation quantity and shortens nucleation time, resulting in a 3.6- times increase in heat flux. The addition of ethane gas in the system promotes condensation nucleation, which increases the liquefaction rate by 60 % when x = 20 % compared to the pure methane system. However, for methane gas, ethane only benefits the liquefaction of methane molecules in the initial nucleation stage. As the mixture in the system enters the cluster growth stage, component migration in the mixed gas leads to a lower liquefaction rate compared to pure methane gas.

Accounting for a capillary pressure jump in a saturated porous medium for a more correct calculation of hydrocarbon reserves

Relevance. The correct calculation of hydrocarbon reserves in various fields (oil, gas, gas condensate) is an important state task, because it allows you to properly organize field development in the future and ensure the rational use of natural resources of the state. In particular, the values of geological and recoverable reserves are assigned to a specific subsurface user and are recorded in departmental documents. Aim. To describe the effect associated with the calculations of the thermodynamic equilibrium of the mixture of hydrocarbons of the Karachaganak oil and gas condensate field at various formation depths with the capillary pressure jump taken into account. This makes it possible to clarify the value of the potential condensate-gas factor of reservoir gas and, as a result, to give a more accurate assessment of the geological reserves of hydrocarbon raw materials. Object. Analysis of the thermodynamic equilibrium of the hydrocarbon mixture of Karachaganak oil and gas condensate field, taking into account the capillary pressure jump, which takes place in a porous medium under reservoir conditions. Methods. Numerical modeling, analytical research. Results. Based on the previously developed methodology for calculating the phase equilibrium with the capillary pressure jump the correction of the potential condensate-gas factor of the formation gas of the Karachaganak oil and gas condensate field was carried out at various formation depths. The range of values of the condensate-gas factor difference for calculations both with and without capillary pressure jump was from 7,04 g/m3, with a condensate-gas factor value equal to 393 g/m3 for formation depth of 4000 m, to 64,47 g/m3, with a condensate-gas factor value equal to 547 g/m3 for formation depth of 4600 m. Based on the updated condensate-gas factor estimate, it is possible to clarify the condensate recovery coefficient during the development of a field without maintaining reservoir pressure or with partial maintaining reservoir pressure.

THERMAL TRANSFORMATIONS OF MALTENES AND OILS FROM HEAVY METHANE BASE CRUDES

The paper considers changes of composition of oils and maltenes during thermal cracking process. The oils and maltenes (mixture Oils+Resins) were isolated from crudes from two oil fields: Zyuzeevskoye (Republic of Tatarstan) and Zuunbayanskoye (Mongolia). Both crudes relate to methane type, but differ by content of saturated, aromatic hydrocarbons, resins, asphaltenes and sulfur. Cracking of oils and (O+R) mixtures was carried out at 450 °С for 120 min in isothermal mode. Data on the mass balance of process, composition of gaseous and liquid cracking products were obtained. It was shown the С1-С5 hydrocarbons are predominate in the composition of gaseous cracking products of oils and (O+R) mixtures. Independent of cracking object their content changes in a series: C1 > C2 > C3 > С4-С5. The dynamics of group hydrocarbon composition changes in thermolysates was studied. It was shown the thermal transformations of hydrocarbons steer in the direction of destruction reactions during cracking of oils with high content of saturated hydrocarbons, as it indicated by gaseous products yield. Condensation reactions are dominated during cracking of oils, in composition of which aromatic hydrocarbons are prevail. It was shown the addition of resins into the complex multicomponent mixture of hydrocarbons leads to directivity change of cracking free radical reaction behavior. Differences in structural-group characteristics of average resins molecules reflect not only on the yield of solid and gaseous cracking products of (O+R) mixture, but also affect on the directivity of hydrocarbons thermal transformations. Moreover it is impossible to exclude the effect of differences in the content of saturated and aromatic hydrocarbons in the composition of oils on the components thermal transformations during cracking process of (O+R) mixtures. For citation: Voronetskaya N.G., Pevneva G.S. Thermal transformations of maltenes and oils from heavy methane base crudes. ChemChemTech [Izv. Vyssh. Uchebn. Zaved. Khim. Khim. Tekhnol.]. 2024. V. 67. N 8. P. 59-67. DOI: 10.6060/ivkkt.20246708.4t.

Hygienic assessment of the carcinogenic risk to the health of the population of the industrial district of Samara due to atmospheric air pollution

The article presents the results of a study assessing the possible risks of the population living in one of the districts of the city of Samara. The object of the study is the Kuibyshev district of Samara. The high anthropogenic load of the district is formed by enterprises of the oil refining and petrochemical industries, enterprises for the production of metal structures, sewage treatment plants, construction facilities, as well as intensive traffic flow. The initial information for assessing public health risks was the data obtained during the analysis of ambient air samples, as well as the results of calculations of the dispersion of pollutant emissions to nearby territories from the leading industrial enterprises of the district and mobile sources. The research was carried out in several stages. At the first stage, we identified the main sources of ambient air pollution, took into account the terrain, wind directions, and the nature of pulse operation of a number of leading sources. At the second stage, 6234 studies of ambient air samples taken in the Kuibyshev district of Samara, were conducted, priority substances were identified, and carcinogenic hazard indices (HRIc) were calculated. The data obtained indicate that the risks to public health are primarily formed as a result of atmospheric pollution with substances such as nitrogen dioxide, sulfuric acid, sulfur dioxide, a mixture of hydrocarbons, hydrogen sulfide, benzene. The main pollutants forming the level of the total carcinogenic risk to the health of the Samara population are hexavalent chromium and benzene. The total carcinogenic risk to the health of the population of the Samara region with a high degree of anthropotechnogenic load during the study period belongs to the 2nd range of reference boundaries and is characterized as acceptable, however, with the simultaneous presence of various pollutants in the air, an unfavorable background of combined effects on the body is created, which can lead to the formation of a certain pathology in the population.

Mapping the influence of hydrocarbons mixture on molecular mechanisms, involved in breast and lung neoplasms: in silico toxicogenomic data-mining

BackgroundExposure to chemical mixtures inherent in air pollution, has been shown to be associated with the risk of breast and lung cancers. However, studies on the molecular mechanisms of exposure to a mixture of these pollutants, such as hydrocarbons, in the development of breast and lung cancers are scarce. We utilized in silico toxicogenomic analysis to elucidate the molecular pathways linked to both cancers that are influenced by exposure to a mixture of selected hydrocarbons. The Comparative Toxicogenomics Database and Cytoscape software were used for data mining and visualization.ResultsTwenty-five hydrocarbons, common in air pollution with carcinogenicity classification of 1 A/B or 2 (known/presumed or suspected human carcinogen), were divided into three groups: alkanes and alkenes, halogenated hydrocarbons, and polyaromatic hydrocarbons. The in silico data-mining revealed 87 and 44 genes commonly interacted with most of the investigated hydrocarbons are linked to breast and lung cancer, respectively. The dominant interactions among the common genes are co-expression, physical interaction, genetic interaction, co-localization, and interaction in shared protein domains. Among these genes, only 16 are common in the development of both cancers. Benzo(a)pyrene and tetrachlorodibenzodioxin interacted with all 16 genes. The molecular pathways potentially affected by the investigated hydrocarbons include aryl hydrocarbon receptor, chemical carcinogenesis, ferroptosis, fluid shear stress and atherosclerosis, interleukin 17 signaling pathway, lipid and atherosclerosis, NRF2 pathway, and oxidative stress response.ConclusionsWithin the inherent limitations of in silico toxicogenomics tools, we elucidated the molecular pathways associated with breast and lung cancer development potentially affected by hydrocarbons mixture. Our findings indicate adaptive responses to oxidative stress and inflammatory damages are instrumental in the development of both cancers. Additionally, ferroptosis—a non-apoptotic programmed cell death driven by lipid peroxidation and iron homeostasis—was identified as a new player in these responses. Finally, AHR potential involvement in modulating IL-8, a critical gene that mediates breast cancer invasion and metastasis to the lungs, was also highlighted. A deeper understanding of the interplay between genes associated with these pathways, and other survival signaling pathways identified in this study, will provide invaluable knowledge in assessing the risk of inhalation exposure to hydrocarbons mixture. The findings offer insights into future in vivo and in vitro laboratory investigations that focus on inhalation exposure to the hydrocarbons mixture.

Pseudomonas aeruginosa PR23 isolated from oil contaminated soil tolerate and degrades mixture of polyaromatic hydrocarbons and express novel proteins.

Pseudomonas aeruginosa PR23 isolated from the hydrocarbon contaminated soil can tolerate and degrade mixture of polyaromatic hydrocarbons (PAHs) at an initial concentration of 1300ppm. The degradation and intermediates formed were assessed by gas chromatography-mass spectrometry (GC-MS) analysis. The isolated strain was able to degrade 59.2% of the mixture of PAHs in 3days and 71.6% by day 15. Effect of PAHs on protein expression in Pseudomonas aeruginosa PR23 was studied using nano LC-MS/MS. Thirty-six proteins showed a more than 2-fold increase in expression in the presence of mixture of PAHs. Out of these proteins, 7 proteins have been reported for their role in degradation of naphthalene, phenanthrene, and pyrene. The data revealed the presence of 16 proteins that were uniquely expressed in the presence of mixture of PAHs. A twin-arginine translocation signal peptide (Tat system), known for the transportation of folded proteins across the cell membrane, showed more than 8-fold increased expression in the presence of mixture of PAHs. These results indicate that the isolated strain adopts the conditions in the presence of mixture of PAHs by modulating its metabolic and physiological processes. These findings suggest that Pseudomonas aeruginosa PR23 may be a suitable candidate for use in the development of strategies for bioremediation of mixtures of PAHs.

Synthesis of aminopropyl triethoxysilane/melamine incorporated superhydrophilic membranes for simultaneous removal of oil, metals, and Salt ions from produced water

Water treatment has turned out to be more important in most societies due to the expansion of most economies and to advancement of industrialization. Developing efficient materials and technologies for water treatment is of high interest. Thin film nanocomposite membranes are regarded as the most effective membranes available for salts, hydrocarbon, and environmental pollutants removal. These membranes improve productivity while using less energy than conventional asymmetric membranes. Here, the polyvinylidene fluoride (PVDF) membranes have been successfully modified via dip single-step coating by silica-aminopropyl triethoxysilane/trimesic acid/melamine nanocomposite (Si-APTES-TA-MM). The developed membranes were evaluated for separating the emulsified oil/water mixture, the surface wettability of the membrane materials is therefore essential. During the conditioning step, that is when the freshwater was introduced, the prepared membrane reached a flux of about 27.77 L m−2 h−1. However, when the contaminated water was introduced, the flux reached 18 L m−2 h−1, alongside an applied pressure of 400 kPa. Interestingly, during the first 8 h of the filtration test, the membrane showed 90 % rejection for ions including Mg2+, and SO42− and ≈100 % for organic pollutants including pentane, isooctane, toluene, and hexadecane. Also, the membrane showed 98 % rejection for heavy metals including strontium, lead, and cobalt ions. As per the results, the membrane could be recommended as a promising candidate to be used for a mixture of salt ions, hydrocarbons, and mixtures of heavy metals from wastewater.

Analysis of refrigerants used in supermarket commercial equipment and the potential for increasing energy efficiency and reducing environmental impact

Refrigerants used in the commercial equipment of supermarkets are the object of the research. The Montreal Protocol calls for a complete phase-out of hydrochlorofluorocarbons (HCFCs) by 2030, and the Kigali Amendment regulates the use of hydrofluorocarbons (HFCs) from 2019. Developed countries began phasing out HFC use in 2019, while developing countries plan to freeze HFC consumption from 2024. These global efforts are aimed at reducing the depletion of the ozone layer and combating climate change. The number of supermarkets in the world varies greatly: in Europe they number from 110 thousand to 115 thousand, and in China – from 65 thousand to 70 thousand, which reflects various needs in refrigeration equipment. Stringent environmental regulations are forcing the commercial refrigeration sector to remain globally competitive. Modernization of supermarkets using natural refrigerants is important for solving emerging challenges. The results of the study show significant improvements in energy efficiency ratio (EER) and coefficient of performance (COP) when using a mixture of hydrocarbons (R290: 85 %, R600a: 15 %) compared to traditional refrigerants R404a, R449a and R502. Specifically, at the evaporation temperature of Tevap=–10 °C, EER increased by 38–44 % and COP by 26–31 % compared to R404a and R449a, respectively. At Tevap=–25 °C, EER increased by 17–34 % and COP by 2–22 % compared to R404a and R449a. Additionally, compared to R502, the hydrocarbon blend showed a 38–44 % increase in EER and 28–31 % COP at Tevap=–10 °C, and a 17–34 % increase in EER and 5–22 % COP at Tevap=–25 °C. These results highlight the advantages of the hydrocarbon mixture at different evaporation temperatures, indicating its potential to improve energy efficiency in refrigeration applications. The obtained data suggest the possibility of a wider application of the mixture of hydrocarbons in commercial refrigeration plants, offering both improved performance and compliance with safety regulations.

Development of a new reagent for the prevention of asphaltene-resin-paraffin deposits

Asphaltene-Resin-Paraffin deposits (ARPD) form a certain proportion of the crude oil mass, separating as temperature and pressure decrease and adsorbing to the surfaces of the reservoir wellbore zone, downhole equipment and tubulars. These deposits precipitate in the wellbore zone, oilfield equipment and pipes,resulting in reduced system productivity, reduced pumping efficiency of the pumping equipment and other negative consequences. Asphalt-resin and paraffin deposits (ARPD) are a complex mixture of solid paraffin hydrocarbons, asphalt-resin substances (ARS), water and mechanical impurities. The strength and composition of ARPD depend on the composition and properties of oil, geological, physical and technological conditions of field development. Chemical methods for removing deposits are currently the most widely used, as they are highly effective and technologically advanced. To this end, new reagents have been developed and their physico-chemical properties have been studied. Subsequently, the selected reagents were tested on oil samples from Oil and Gas Production Department (OGPD) with a paraffin content of more than 6 %. It was also shown that paraffin inhibitors have individual effects; a reagent that is effective on oil from one field may not have the same effect on oil from other fields. The research includes studies of selected reagents for paraffinic oils from different fields. Using the «cold finger» method, the efficacy of the selected reagents against paraffin deposition was investigated and their optimum doses were determined. Keywords: reagent; sendiment; paraffin; asphaltene; resin; well bottom zone; viscosity; depressor.

WASTE PROCESSING BY PLASMA ARC ELECTROLYTIC CENTRIFUGAL CONVERSION

The plasma-arc electrolytic centrifugal conversion process was developed for processing of crude ore materials and hydrocarbons to end products with simultaneous generation of energy carriers and energy [1]. The developed process may be used with a similar purpose for processing of various wastes. Industrial and household wastes have identical chemistry with common ore and hydrocarbons. Waste ore called “tailings” is comparable to payable ore and, just as in base ore, oxygen comprises about half of its composition. Household wastes for the most part contain organic compounds, including plastic, wood, paper, and form hydrocarbon mixtures containing various metals and nonmetals. Melted waste mixture contains almost every elements of the periodic table with various chemical elements acting as reaction catalysts. The wastes are processed under electric energy generated by hydrogen burning in oxygen. Hydrogen is recovered from hydrocarbon materials contained in household wastes and water contained in the feed. Oxygen is recovered from waste ore. Hydrogen and oxygen are stored in a methanol compound obtained from synthesis gas generated in the course of waste plasma melting.

A hybrid modeling approach: dynamic simulation of two-phase fluid flow in compacting gas condensate reservoirs using potential flow theory

Simulating the flow processes of complex hydrocarbon mixtures, such as gas condensate mixtures and volatile oils, in deep reservoirs is one of the most challenging problems in reservoir hydrodynamics. The challenge lies in meeting three requirements simultaneously when creating a simulator: high accuracy, low computational cost, and high reliability. These metrics determine the performance of the simulation. Meeting all these requirements at the same time necessitates a hybrid approach to solving the problem and optimizing the computational algorithm in terms of CPU time. A new technique has been developed for hybrid modeling of the development of deposits of complex hydrocarbon mixtures. This technique integrates the theory of potential flow, the Binary Flow Model (which accounts for rock compaction, PVT properties of reservoir fluids, phase transformation, and mass transfer between phases), and the material balance equations of the hydrocarbon system using time discretization. In this case, to linearize nonlinear differential equations for the flow of a gascondensate mixture, the method of averaging reservoir pressure along the radial coordinate was used. By introducing the Khrestianovich function, an algorithm was obtained to determine the rate of inflow of the gas-condensate mixture to the well. Using material balance equations for gas and condensate, it was possible to obtain differential equations that describe changes in reservoir pressure and condensate saturation over time. Based on this technique, a simulator for a gas condensate reservoir was created, enabling computer studies to be conducted. The results demonstrated the proposed technique's good accuracy compared with the results of the semi-analytical solution. Keywords: dynamic modeling; simulation; monitoring; streamline; hybrid modeling; binary model.

Adverse impact of phthalate and polycyclic aromatic hydrocarbon mixtures on birth outcomes: A metabolome Exposome-Wide association study

It has been well-investigating that individual phthalates (PAEs) or polycyclic aromatic hydrocarbons (PAHs) affect public health. However, there is still a gap that the mixture of PAEs and PAHs impacts birth outcomes. Through innovative methods for mixtures in epidemiology, we used a metabolome Exposome-Wide Association Study (mExWAS) to evaluate and explain the association between exposure to PAEs and PAHs mixtures and birth outcomes. Exposure to a higher level of PAEs and PAHs mixture was associated with lower birth weight (maximum cumulative effect: 143.5 g) rather than gestational age. Mono(2-ethlyhexyl) phthalate (MEHP) (posterior inclusion probability, PIP = 0.51), 9-hydroxyphenanthrene (9-OHPHE) (PIP = 0.53), and 1-hydroxypyrene (1-OHPYR) (PIP = 0.28) were identified as the most important compounds in the mixture. In mExWAS, we successfully annotated four overlapping metabolites associated with both MEHP/9-OHPHE/1-OHPYR and birth weight, including arginine, stearamide, Arg-Gln, and valine. Moreover, several lipid-related metabolism pathways, including fatty acid biosynthesis and degradation, alpha-linolenic acid, and linoleic acid metabolism, were disturbed. In summary, these findings may provide new insights into the underlying mechanisms by which PAE and PAHs affect fetal growth.

Amine grafted graphene oxide embedded in polyamide membranes for simultaneous removal of oil, metals, and salts from oily water

As a result of the economic growth and the emergence of industrialization in most economies, water purification has gained increased significance. The nanocomposite nanofiltration membranes can remove salts, hydrocarbons, and environmental pollutants. However, the surface wettability of the membrane materials is crucial since they are utilized to separate emulsified oil/water mixtures. In this study, the polyvinylidene fluoride support membrane was successfully modified to a hydrophilic state in this instance via dip single-step coating by modifying graphene oxide (GO) with (3-aminophenyltriethoxysilane)-trimesic acid-melamine (GO-APTES-TA-MM) polyamide. The separation efficiency and antifouling properties were evaluated by analyzing the flux using a membrane cell tester machine. Scanning electron microscopy (SEM) was used to confirm the morphology of the membrane and EDX was employed to characterize the modified membrane before and after separation testing. The membrane shows good rejection of organic pollutants including pentane, isooctane, toluene, and hexadecane, attaining a removal of >90 % of heavy metals such as strontium, lead, and cobalt, and 86 % rejection of salt ions SO42−, and 42 % for Mg2+. According to the findings, the membrane can be a good choice for simultaneous treatment of wastewater containing a mixture of metal ions, hydrocarbons, and salt mixes from oily water.

Analysis of Dimethylsiloxanes in Hydrocarbon Matrices like Marine Fuels Applying a Novel Enrichment Procedure and a Two-Column Gas Chromatography – Mass Spectrometry Measurement

Marine fuels are consumed worldwide in quantities of more than 200 million tons per year. It is not a uniform product, but rather heterogeneous mixtures of hydrocarbons with a wide range of viscosities. Due to the production processes, marine diesel contains dimethylsiloxanes. These lead to damage to marine exhaust catalysts in connection with combustion reactions in the ships’ engines. A novel analytical method, presented here, was developed that allows to investigate these processes and to monitor the dimethylsiloxane contents in complex marine fuel matrices. The key steps of the analytical procedure are analyte enrichment by solid phase extraction (SPE) using thermally activated silica gel and chromatographic separation and measurement by heart-cutting gas chromatography - mass spectrometry. Authentic reference substances for quantification by standard addition are used for the dimethylsiloxane analytes. The clean-up enabled a 90% reduction of the matrix content in the analysis solutions compared to the initial sample. Recovery rates in the range of 87.8% to 111.4% were determined for all analytes (Si3 to Si9). The detection limits of analytes ranged from 0.06 μg/L to 5.68 μg/L. Values of 0.71 μg/L to 23.6 μg/L were determined for the limits of quantification. The newly designed analytical method was successfully applied to real marine fuel samples. The analytical procedure is to be made available to commercial and industrial laboratories as a practical method for controlling siloxane contents in marine fuels to contribute this way to efficiently functioning marine exhaust gas purification.