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Wash oil is a fraction obtained by the distillation of coal tar and is primarily used for the absorption of light oil from coke oven gas. During operation, the oil undergoes polymerization and loses some components, necessitating the removal of the used oil and its replacement with fresh wash oil. The rheological properties of the studied oils were determined using a Brookfield DV2T rotational controlled-shear rate rheometer. Gas chromatographic analysis, gas chromatography/mass spectrometry, and IR spectroscopy were employed to evaluate the oil's characteristics. By adding individual components to the wash oil, it was found that these components could be categorized into three groups: viscosity enhancers, viscosity reducers, and non-polar oil substances with medium molecular weight that have no significant effect on viscosity. The addition of relatively polar components with greater molecular weight and a planar, rigid structure leads to an increase in viscosity. Conversely, the incorporation of naphthalene and its methyl homologues, which have lower molecular weights, reduces viscosity by disrupting intermolecular interactions; their lower heats of crystallization also inhibit the formation of structured order in the liquid, further contributing to the reduction in viscosity. The most substantial increase in oil viscosity was observed with the addition of indene-coumarone resins, attributed to their high molecular weight and polymer structure. [ABSTRACT FROM AUTHOR]

Currently, the conversion of waste plastics into high-value products via catalytic pyrolysis enables the advancement of plastics' open-loop recycling. However, enhancing selectivity remains a critical challenge. This study introduces a novel approach to catalytic pyrolysis, utilizing a combination of MCM-41 and modified gallium-based HZSM-5 catalysts, to achieve exceptional selectivity for aromatic liquid-phase products from linear low-density polyethylene. Firstly, to enhance the probability of dehydroaromatization optimization, the type and proportion of metal active sites within the HZSM-5 catalyst are fine-tuned, which would establish equilibrium with acid sites, resulting in a remarkable 15.72% increase in the selectivity of aromatic hydrocarbons. Secondly, to enhance the accessibility of volatiles to active sites, mesoporous MCM-41 with cracking capabilities is introduced. The doping ratio of MCM-41 is meticulously controlled to facilitate the diffusion of cracked volatiles to the active centers of modified gallium-based HZSM-5, enabling efficient reforming reactions. Experimental findings demonstrate that MCM-41 significantly enhances the dehydroaromatization activity of the modified gallium-based HZSM-5 catalyst. Under the influence of MCM-41:Zr2Ga3/HZSM-5 = 1:2 catalyst, the selectivity for aromatic hydrocarbons reaches an impressive 93.11%, with a notable 60.01% selectivity for benzene, toluene, ethylbenzene, and xylene. Lastly, this study proposes a plausible pathway for the generation of high-value aromatic hydrocarbons using the combined catalyst. [ABSTRACT FROM AUTHOR]

Aromatic hydrocarbons (benzene, toluene, xylene) are valuable intermediates in the chemical and petrochemical industries, so the conversion of butane into aromatics is an important catalytic process from both scientific and industrial viewpoints. In addition to the production of aromatic compounds, the production of hydrogen during aromatization of lower alkanes is also of interest. This review describes industrial processes and presents the main achievements in the field of scientific research into butane aromatization on heterogeneous catalysts over the past 15 years. Current problems and possible directions of studies on the development of catalysts for aromatization of C4 hydrocarbons are also discussed. [ABSTRACT FROM AUTHOR]

Abstract Wash oil is a fraction obtained by the distillation of coal tar and is primarily used for the absorption of light oil from coke oven gas. During operation, the oil undergoes polymerization and loses some components, necessitating the removal of the used oil and its replacement with fresh wash oil. The rheological properties of the studied oils were determined using a Brookfield DV2T rotational controlled-shear rate rheometer. Gas chromatographic analysis, gas chromatography/mass spectrometry, and IR spectroscopy were employed to evaluate the oil’s characteristics. By adding individual components to the wash oil, it was found that these components could be categorized into three groups: viscosity enhancers, viscosity reducers, and non-polar oil substances with medium molecular weight that have no significant effect on viscosity. The addition of relatively polar components with greater molecular weight and a planar, rigid structure leads to an increase in viscosity. Conversely, the incorporation of naphthalene and its methyl homologues, which have lower molecular weights, reduces viscosity by disrupting intermolecular interactions; their lower heats of crystallization also inhibit the formation of structured order in the liquid, further contributing to the reduction in viscosity. The most substantial increase in oil viscosity was observed with the addition of indene-coumarone resins, attributed to their high molecular weight and polymer structure.

This study addresses the ongoing demand for increased efficiency and reduced emissions in turbomachinery combustion systems. A custom-built high-pressure combustor was designed and manufactured at the Low Carbon Combustion Centre (LCCC) of the University of Sheffield to investigate the impact of different aromatic hydrocarbons on emission rates. The research involved the comprehensive testing of Jet−A1 fuel and six aromatic species blends under high-pressure conditions of 10 bar. Based on the numerical CFD simulations by ANSYS 19.2, tangential dual air injection and a strategically placed V-shaped baffle plate were utilised to enhance fuel-air mixing and combustion stability. Experimental results demonstrated a negative correlation between combustion temperature and particulate matter (PM) emissions, with higher temperatures yielding lower PM emissions. Unburned hydrocarbons (UHCs), nitrogen oxides ( N O x ), carbon monoxide ( C O ), and carbon dioxide ( C O 2 ) emissions were also analysed. Ethylbenzene produced the highest UHC and C O emissions, while Indane exhibited the lowest levels of these pollutants, suggesting more complete combustion. O−xylene generated the highest N O x emissions, correlating with its higher combustion temperatures. This research enhances our understanding of gas turbine combustor design and the combustion behaviour of aromatic species, providing valuable insights for developing low-emission, high-efficiency gas turbine combustion technologies. [ABSTRACT FROM AUTHOR]

The use of depressant additives is the most effective and cost-effective way to improve the low-temperature properties of diesel fuels, like the cloud point, cold filter plugging point and pour point. However, the effectiveness of depressant additives depends on the composition of the diesel fuel and the content of certain groups of hydrocarbons in it. In this work, the effect of adding individual hydrocarbons of various groups and structures on the effectiveness of depressant additives is studied. This study is carried out on model aromatic (toluene, tetralin) and n-paraffin hydrocarbons (cetane, heptadecane, heneicosane, docosane) in various concentrations. It is shown that the most negative effect on the depressant additives' effectiveness is due to the content of the most polar aromatic hydrocarbons and light n-paraffins in the composition of diesel fuel, and the most positive effect is exerted by the content of heavy n-paraffins in small quantities. It is proposed to involve small concentrations (1–3% vol.) of heavy n-paraffin hydrocarbons (heneicosane, docosane) to increase the effectiveness of the depressant additive. It has been established that for the more effective action of the depressant, it is necessary to take into account the content and structure of individual hydrocarbons in the diesel fuel's composition. [ABSTRACT FROM AUTHOR]

The results of scientific research in the field of liquid-liquid extraction purification of diesel distillates differing in the content of undesirable aromatic and sulfur compounds using various ionic liquids as a selective, environmentally friendly solvent are presented. Different extracting ability of ionic liquids (dipropylammonium, dibutylammonium and N-methylpyrrolidinium acetate, morpholinium formate) in relation to the extracted components of diesel distillate is shown. In particular, a high degree of purification of the hydrotreated diesel fraction was established when using N-methylpyrrolidinium acetate ionic liquid in the extraction process. The influence of the staged process of extraction purification of mixed diesel distillate based on straight-run diesel fraction (70% vol.) and secondary oil processing products - light gas oil coking and light gas oil catalytic cracking (30% vol.) on the degree of dearomatization and desulfurization of the fuel has been determined. A relatively high yield and degree of purification of diesel fuel were revealed when carrying out the process of extraction purification of the mixed diesel distillate with N-methylpyrrolidinium acetate ionic liquid in three stages. The extraction purification process was studied using IR and UV spectral analysis methods and the possibility of purifying three- and fourcyclic aromatic hydrocarbons from the mixture of straight-run diesel fraction and secondary petroleum products was established when carrying out the extraction process with N-methylpyrrolidinium acetate ionic liquid. [ABSTRACT FROM AUTHOR]

Background: Catalytic co‐pyrolysis of biomass with waste plastics can produce high‐quality chemicals, making it a potential alternative to fossil fuels. The production of aromatic‐rich oil was achieved in this work by the catalytic co‐pyrolysis of pine sawdust and low‐density polyethylene (LDPE) using a series of biochar (BC) made using different preparation methods. Zinc chloride (ZnCl2) was employed to activate the BC during the preparation process, owing to its optimal activity for the co‐pyrolysis intermediates. The study compared the effects of BCs activated using different treatment methods on the yield and fractions of pine sawdust and LDPE co‐pyrolysis in a fast pyrolysis tube furnace at 650 °C. Results: The study indicates that the ZnCl2 BC, prepared from pine sawdust by fast pyrolysis (F‐AC), exhibited the best aromatic catalytic activity. The selectivity to aromatic hydrocarbons was 72.53%, and the content of BTEX (benzene, toluene, ethylbenzene, and xylene) was 32.17%. Conclusion: The Diels–Alder reaction and aromatization were made more effective due to the Zn sites and large pore structure in F‐AC. Using Fourier transform infrared, scanning electron microscopy and X‐ray photoelectron spectroscopy analysis, it was found that F‐AC contained more oxygen (O)‐containing groups in abundance, which improved its adsorption capacity for reaction intermediates. At the same time, the porous structure and high SSA of BC provided a region for the reaction intermediate to interact with the active center containing O‐containing groups. This enhanced the synergy between biomass and plastics and raised the selectivity of aromatic hydrocarbons. It provides a reference for the application of carbon‐based materials in the co‐pyrolysis of biomass and waste plastics. © 2024 Society of Chemical Industry (SCI). [ABSTRACT FROM AUTHOR]

Abstract Umbelliferous (Apiaceae) vegetables are widely consumed worldwide for their nutritive and health benefits. The main goal of the current study is to explore the compositional heterogeneity in four dried umbelliferous vegetables viz, celery, coriander, dill, and parsley targeting their volatile profile using gas chromatography-mass spectrometry (GC–MS). A total of 133 volatile metabolites were detected belonging to 12 classes. Aromatic hydrocarbons were detected as the major components of the analyzed vegetables accounting ca. 64.0, 62.4, 59.5, and 47.8% in parsley, dill, celery, and coriander, respectively. Aliphatic hydrocarbons were detected at ca. 6.39, 8.21, 6.16, and 6.79% in parsley, dill, celery, and coriander, respectively. Polyunsaturated fatty acids (PUFA) of various health benefits were detected in parsley and represented by roughanic acid and α-linolenic acid at 4.99 and 0.47%, respectively. Myristicin and frambinone were detected only in parsley at 0.45 and 0.56%. Investigation of antibacterial activity of umbelliferous vegetables n-hexane extract revealed a moderate antibacterial activity against Gram-positive and Gram-negative bacteria with higher activity for celery and dill against Staphylococcus aureus with inhibition zone 20.3 mm compared to 24.3 mm of the standard antibacterial drug.

Abstract In the process of oilfield exploitation and production, harmful pollutants, such as Crude oil that falls to the ground (generally refers to crude oil that leaks to the ground during oil production or transportation), production wastewater and oil-bearing mud are produced. In this contribution, the soil and crude oil from Daqing area are adopted as experimental materials to make a soil column-experimental device. The results show that the maximum migration depth of petroleum pollutants is 25 cm, most of the pollutants exist above 10 cm. The components of pollutants in disturbed soil column are complex, and the peak area of each component is large, mainly distributed in C12–C28, while in undisturbed soil column, the content of pollutants is small, and the peak area of each component is also small, mainly distributed in C12–C22. With the increase of depth, the relative content of aromatic hydrocarbons increases. The migration ability of low carbon component is weaker than the other components in crude oil. The components with high carbon number are significantly higher in shallow part. The relative contents of each component from high to low are saturates, aromatic hydrocarbons, resin and asphaltene in the soil. Compared with disturbed soil columns, the structure of undisturbed soil is complex, and the migration rate of pollutants in undisturbed soil is slower than that in disturbed soil. With the increase of depth, the light components of disturbed soil columns gradually decrease, and the relative content of heavy components changes little. The light components of the undisturbed soil column also gradually decreased, and the heavy components greater than C22 did not migrate to the depth of the soil column.

Synchronous fluorescence spectroscopy (SFS) is a technique that involves the simultaneous detection of fluorescence excitation and emission at a constant wavelength difference. The spectrum yields bands that are narrower and less complex than the original excitation and emission bands. The SFS bands correspond uniquely to the fluorescing molecule. Our investigation focuses on evaluating the sensitivity of the SFS technique for the detection and quantitation of PAHs relevant to astrochemistry. Results are presented for naphthalene, anthracene, and pyrene in three different solvents: n-hexane, water, and ethanol. SF bands are obtained with a constant wavelength difference between the peak excitation and emission wavelength (Δλ = λex − λem) at a concentration ranging from 10−4 to 10−10 M. Limit of detection (LOD) and limit of quantitation (LOQ) calculations are based on integrated SF band areas at different concentrations. Spectra of 23 pg/g of anthracene, 16 pg/g, and 2.6 pg/g of pyrene are recorded using ethanol as the solvent. The PAHs exhibit detection limits in the fractions of parts-per-billion (ng/g) range. Through comparison with similar prior studies employing fluorescence emission, our findings reveal a better detectability limit, demonstrating the effectiveness and applicability of the SFS technique. [ABSTRACT FROM AUTHOR]

Polycyclic aromatic hydrocarbons (PAH) are compounds derived from petrochemical molecules and have high recalcitrance in natural environments. The process of PAH degradation is dependent on several physical–chemical and environmental factors, as well as the presence of adapted microorganisms containing the enzymatic tools to degrade these complex compounds. In natural settings, several microorganisms are capable of degrading PAH. Thus, there are still several gaps to be filled in the knowledge of prokaryotic microorganisms that degrade aromatic hydrocarbons, mainly phenanthrene, which can be used for the bioremediation of areas contaminated with petroleum derivatives. In this study, enrichment, isolation, and taxonomic identification of the main phenanthrene-degrading microorganisms were carried out from a complex inoculum from an industrial wastewater treatment plant in a petrochemical complex. Bacillus and Alcaligenes were enriched, isolated and identified as potential candidates for bioremediation procedures in places contaminated by oil derivatives, particularly aromatic hydrocarbons like phenanthrene at concentrations between 26 to 200 mg/L. The isolation processes were effective, proving that the isolated strains were able to remove approximately 98% of the phenanthrene added to the reaction medium. The presence of extra carbon sources is essential for the development of phenanthrene-degrading microbial groups. [ABSTRACT FROM AUTHOR]

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The photooxidation process of aromatic hydrocarbons isolated from crude petroleum from the Zagly field by liquid chromatography was studied using modern spectroscopic methods (UV spectroscopy, IR spectroscopy, NMR spectroscopy, and luminescence) and changes in the chemical composition, spectral parameters, and spectral luminescent properties. [ABSTRACT FROM AUTHOR]

In the process of oilfield exploitation and production, harmful pollutants, such as Crude oil that falls to the ground (generally refers to crude oil that leaks to the ground during oil production or transportation), production wastewater and oil-bearing mud are produced. In this contribution, the soil and crude oil from Daqing area are adopted as experimental materials to make a soil column-experimental device. The results show that the maximum migration depth of petroleum pollutants is 25 cm, most of the pollutants exist above 10 cm. The components of pollutants in disturbed soil column are complex, and the peak area of each component is large, mainly distributed in C12–C28, while in undisturbed soil column, the content of pollutants is small, and the peak area of each component is also small, mainly distributed in C12–C22. With the increase of depth, the relative content of aromatic hydrocarbons increases. The migration ability of low carbon component is weaker than the other components in crude oil. The components with high carbon number are significantly higher in shallow part. The relative contents of each component from high to low are saturates, aromatic hydrocarbons, resin and asphaltene in the soil. Compared with disturbed soil columns, the structure of undisturbed soil is complex, and the migration rate of pollutants in undisturbed soil is slower than that in disturbed soil. With the increase of depth, the light components of disturbed soil columns gradually decrease, and the relative content of heavy components changes little. The light components of the undisturbed soil column also gradually decreased, and the heavy components greater than C22 did not migrate to the depth of the soil column. [ABSTRACT FROM AUTHOR]

Aromatic hydrocarbons and pesticides are important chemical raw materials and can cause serious pollution to environment. To study the acute toxicity of these compounds to Selenastrum capricornutum, a quantitative structure-toxicity correlation model was established. Moreover, a novel structure parameter of zero-valent atomic index (0B) was proposed based on the molecular topology theory, and the electrical and spatial structure properties of atoms in molecules. The electrical topological state index (Em) and electric distance vector (Mn) of the aromatic hydrocarbons and pesticides compounds were calculated and optimized. Eight indexes of 0B, E7, E9, E16, E43, M25, M26, and M36 were screened. Finally, a neural network prediction model with three-layer (8-3-1) structure was constructed. The correlation coefficient of this model is 0.9447. The mean error between the predicted value and the experimental value is only 0.224. These results show that there is a good non-linear relationship between the acute toxicity of the aromatic hydrocarbons and pesticides compounds and the zero-valent atomic index, electrical topological state index and electric distance vector. The atomic electric structure and the group fragments of =CH, =C<, =O and X (halogen groups) are the main factors affecting the acute toxicity of aromatic hydrocarbons and pesticides to Selenastrum capricornutum. [ABSTRACT FROM AUTHOR]

Polycyclic aromatic hydrocarbons (PAHs) are a serious threat to the health of the environment. This study investigated the potential of Azolla filiculoides for the uptake, accumulation, and biodegradation of phenanthrene and pyrene. A- filiculoides plants were treated with 10 and 30 mg L−1 concentrations of phenanthrene and pyrene for the experimental duration of ten days. Phenanthrene and pyrene concentrations were measured using the high-performance liquid chromatography (HPLC) technique. Identification of the intermediate by-products resulting from the biological degradation of PAHs was performed by gas chromatography-mass spectrometry (GC/MS). The quantities of phenanthrene and pyrene in the ten-day treatments with 10 and 30 mg L−1 were 0.007 and 0.011 mg g−1 FW, and 0.048 and 0.079 mg g−1 FW, respectively. The growth parameters in the plants such as fresh weight, dry weight and RFN as well as the content of photosynthetic pigment of the plant decreased significantly compared to the control sample (p < 0.05). Ten compounds were identified from the plant tissue during the decomposition of pyrene and phenanthrene, and none of the PAHs were identified in the aquatic environment. Therefore, the use of A-filiculoides for phytoremediation of water resources contaminated with PAHs is an effective and promising method. This study estimated the efficiency of Azolla filiculoides phytoremediation in the uptake, accumulation and biodegradation of phenanthrene and pyrene in polluted waters as a total of 100%. High accumulation of pyrene and phenanthrene in the plant tissue decreased plant growth and the number of photosynthetic pigments. GC-MS analysis, identified ten by-products resulting from the degradation of pyrene and phenanthrene in A-filiculoides plant tissue. HPLC analysis showed that there are no substances of PAHs in the water environment. [ABSTRACT FROM AUTHOR]

In petrochemistry, normal paraffins are used mainly as raw materials for the production of alkylbenzenes, alkanesulfonates, synthetic fatty acids, secondary alcohols, a-olefins (thermocracking), internal olefins (dehydrogenation). Currently, the market for synthetic detergents (SMC) is one of the most dynamically developing in the world. According to the forecasts of the leading companies producing alkyl benzenes, in the next 10 years, the demand for intermediates for the production of synthetic detergents is expected to grow both in domestic markets and in the global market as a whole. At hydrotreatment units, a wide fraction of n-paraffins (C9-C20) is released from hydrotreated diesel fuel. After that, the C9-C20 fraction is sent to the pre-fractionation unit of the olefin production unit, where the C14-C17 fraction is separated from the wide fraction. This fraction is marketable and requires preliminary purification from aromatic hydrocarbons. Typically, the content of aromatic hydrocarbons in the crude fraction -14+ is from 0.5 to 2.0 wt%. The residual content of aromatic hydrocarbons in the purified fraction should not exceed 0.01% wt. To remove aromatic hydrocarbons, the -14+ fraction is fed to the oleum treatment unit. At the oleum purification unit, post-treatment is carried out using oleum with a concentration of 20-24% wt. After sulfonation, it is necessary to neutralize with caustic soda. Obtaining dearomatized liquid paraffins from diesel fuel using oleum purification has many disadvantages, since working with fuming sulfuric acid requires a high degree of protection of the human body and the strictest observance of safety regulations. Due to the difficulties in disposing of spent sulfuric acid, plant shutdowns and downtime are not uncommon. This article presents the results of a comprehensive study of the adsorption of aromatic hydrocarbons from higher alkanes on zeolite CaX. The main parameters of statics, dynamics and kinetics of adsorption are determined. [ABSTRACT FROM AUTHOR]

Abstract We are interested in converting second generation feedstocks into styrene, a valuable chemical compound, using the solvent-tolerant Pseudomonas putida DOT-T1E as a chassis. Styrene biosynthesis takes place from L-phenylalanine in two steps: firstly, L-phenylalanine is converted into trans-cinnamic acid (tCA) by PAL enzymes and secondly, a decarboxylase yields styrene. This study focuses on designing and synthesizing a functional trans-cinnamic acid decarboxylase in Pseudomonas putida. To achieve this, we utilized the “wholesale” method, involving deriving two consensus sequences from multi-alignments of homologous yeast ferulate decarboxylase FDC1 sequences with > 60% and > 50% identity, respectively. These consensus sequences were used to design Pseudomonas codon-optimized genes named psc1 and psd1 and assays were conducted to test the activity in P. putida. Our results show that the PSC1 enzyme effectively decarboxylates tCA into styrene, whilst the PSD1 enzyme does not. The optimal conditions for the PSC1 enzyme, including pH and temperature were determined. The L-phenylalanine DOT-T1E derivative Pseudomonas putida CM12-5 that overproduces L-phenylalanine was used as the host for expression of pal/psc1 genes to efficiently convert L-phenylalanine into tCA, and the aromatic carboxylic acid into styrene. The highest styrene production was achieved when the pal and psc1 genes were co-expressed as an operon in P. putida CM12-5. This construction yielded styrene production exceeding 220 mg L−1. This study serves as a successful demonstration of our strategy to tailor functional enzymes for novel host organisms, thereby broadening their metabolic capabilities. This breakthrough opens the doors to the synthesis of aromatic hydrocarbons using Pseudomonas putida as a versatile biofactory.

Results of studying ethanol conversion to aromatic hydrocarbons (benzene, toluene, xylenes) that are currently available in the scientific literature are discussed and systematized. The features of ethanol conversion in the presence of zeolite catalysts and the mechanism of each individual stage of ethanol conversion to aromatic hydrocarbons are discussed. The effect of the zeolite catalyst composition, the feedstock composition, and ethanol conversion process conditions is demonstrated. The effect of the modifier of a zeolite catalyst on the aromatic hydrocarbon selectivity is shown. This review can be of interest and of use to researchers of zeolite catalyst systems and alcohol conversion processes. [ABSTRACT FROM AUTHOR]

[Display omitted] • The tandem hydrotreatment process was initially proposed to produce p-cymene. • A yield of 79.1% of p-cymene was obtained on the Pd/SBA-15 catalyst. • The intermediate limonene in waste tire pyrolysis was completely converted into p-cymene. • The optimized temperatures: hydropyrolysis at 425 ℃, hydrotreatment at 400 ℃. The resource utilization and valorization of waste tires (WT) are of significant importance in reducing environmental pollution. To produce high-value p-cymene from WT, we propose a catalytic cascade process combining hydropyrolysis and catalytic gas-phase hydrotreating in a two-stage fixed-bed reactor. The effect of catalysts prepared with three different acidic supports on the hydrogenation/dehydrogenation of limonene, a compound derived from the hydropyrolysis of WT, was investigated. The p-cymene formation could be controlled by optimizing process parameters, including hydropyrolysis temperature, hydrogenation temperature, and catalyst-to-feedstock ratio (C/F). Experimental results indicated that, in the absence of a catalyst, limonene was the main product of WT depolymerization. Under optimized conditions (hydropyrolysis temperature of 425 ℃, hydrotreating temperature of 400 ℃, C/F of 10:1, and reaction pressure of 0.15 MPa), the highest relative content of p-cymene (79.1%) was obtained over the Pd/SBA-15 catalyst. This demonstrates that our proposed catalytic cascade process of hydropyrolysis and selective gas-phase hydrogenation/dehydrogenation can convert WT into p-cymene with high added value. [ABSTRACT FROM AUTHOR]

This work reports experimental densities ρ, sound speeds u, and refractive indices n for the ternary system (toluene + n-hexane + cyclohexane) and related binary subsystems at 298.15 K and ambient pressure. Experimental data were used to derive excess molar volumes ( V m E ), excess isentropic compressibilities ( κ S E ), and refractive index deviations (Δn). Redlich–Kister and Cibulka's equations correlated the binary and ternary excess and deviation data, respectively, with standard deviations below the estimated uncertainties of the corresponding properties. The excess and deviation properties helped probe the interactions between mixture components. Furthermore, the Perturbed Chain Statistical Associating Fluid Theory Equation of State modeled the density of binary and ternary mixtures. Schaaff's collision factor theory and Nomoto's relation were compared for their capability to predict the sound speed of the studied mixtures. Mixing rules by Lorentz-Lorenz, Gladstone-Dale, Laplace, and Eykman modeled the mixtures' refractive indices. The average absolute percentage deviation between experimental and calculated values measured the models' predicting capabilities. The modeled densities are reasonably concordant with experimental data with deviations of 0.25%, 0.32%, 0.74%, and 0.31% for the binary n-hexane + cyclohexane, toluene + cyclohexane, and toluene + n-hexane, and ternary toluene + n-hexane + cyclohexane mixture, respectively. Nomoto's relation was better for predicting binary (overall deviation of 0.46%) and ternary (deviation of 0.62%) sound speeds. Lorentz–Lorenz mixing rule was the best option for predicting binary (overall deviation of 0.08%) and ternary (deviation of 0.14%) refractive indices. [ABSTRACT FROM AUTHOR]

It is known that highly efficient catalysts for the catalytic oxidation of aromatic hydrocarbons can be obtained based on magnetic nanoparticles. The development of nanosized magnetically controlled catalysts for the oxidation of aromatic hydrocarbons with oxygen deserves especially close attention in the territory of the Republic of Kazakhstan, which does not have its own industrial production of oxygen-containing compounds. The aim of this work is to create catalysts based on Fe and Co nanoparticles stabilized with polymers: polyvinylpyrrolidone, chitosan, and polyethylenimine, study them by methods of physico-chemical research, and conduct preliminary tests of catalysts to predict their effectiveness. Magnetic nanoparticles were prepared by the co-precipitation method. Based on the results of the SEM analysis, it was concluded that polymers form composites together with metal nanocrystals. According to preliminary data, the most efficient oxidation of phenol in a non-flowing glass gradient-free thermostated duck-type reactor occurs on Fe3O4/chitosan, with the phenol conversion being 55–60%. Tests on the oxidation of phenol with oxygen showed a favorable prognosis for the use of such catalysts for the oxidative conversion of aromatic hydrocarbons in order to obtain valuable intermediates. [ABSTRACT FROM AUTHOR]

A study of the sedimentary rocks of the Ngrayong formation has been carried out on five samples from the Polaman outcrop point to determine the potential of coal as a source rock for producing oil and gas through GC-MS analysis. Biomarker analysis shows the presence of n-alkanes (C16-C36) with a bimodal distribution, indicating that the source of organic material in sedimentary rocks comes from bacteria, algae, and vascular plants, which is supported by several parameters such as CPI, OEP, LHCPI, wax index, ACL and AlkTerr values. This dominant source of terrigenous organic matter is also proven by the TAR value, C31/C19, C29/C17 ratio, and several aromatic compounds and their derivatives. Bacterial input as an organic source of allouchtonic sedimentary rocks is also proven by the presence of hopanoid, de-A-lupane biomarkers, and C17/C31 ratio. The oxic deposition environment is indicated by the Pr/Ph ratio. CPI and OEP parameters, C29 bb/ab ratio > 0.15 and C31 22S/(22S+22R)

This study addresses the ongoing demand for increased efficiency and reduced emissions in turbomachinery combustion systems. A custom-built high-pressure combustor was designed and manufactured at the Low Carbon Combustion Centre (LCCC) of the University of Sheffield to investigate the impact of different aromatic hydrocarbons on emission rates. The research involved the comprehensive testing of Jet−A1 fuel and six aromatic species blends under high-pressure conditions of 10 bar. Based on the numerical CFD simulations by ANSYS 19.2, tangential dual air injection and a strategically placed V-shaped baffle plate were utilised to enhance fuel-air mixing and combustion stability. Experimental results demonstrated a negative correlation between combustion temperature and particulate matter (PM) emissions, with higher temperatures yielding lower PM emissions. Unburned hydrocarbons (UHCs), nitrogen oxides (NOx), carbon monoxide (CO), and carbon dioxide (CO2) emissions were also analysed. Ethylbenzene produced the highest UHC and CO emissions, while Indane exhibited the lowest levels of these pollutants, suggesting more complete combustion. O−xylene generated the highest NOx emissions, correlating with its higher combustion temperatures. This research enhances our understanding of gas turbine combustor design and the combustion behaviour of aromatic species, providing valuable insights for developing low-emission, high-efficiency gas turbine combustion technologies.

The effect of the temperature, pressure, and gas phase composition on anisole deoxygenation in supercritical n-hexane in the presence of a palladium catalyst supported on hypercrosslinked polystyrene is studied. The maximum yield of aromatic products (benzene, toluene) is obtained under the following conditions: a temperature of 270°C and an initial pressure of the nitrogen–hydrogen mixture (20 vol % H2) of 1.5 MPa. [ABSTRACT FROM AUTHOR]

The article discusses the effects of polycyclic aromatic hydrocarbon (PAH) exposure on coke oven workers in Eastern Slovakia, revealing a significant increase in chromosomal aberrations and gaps. It emphasizes the potential mutagenic and carcinogenic risks associated with PAH exposure in industrial settings, and it emphasizes the importance of cytogenetic analysis for preventive and public health interventions.

The co-pyrolysis effect of municipal sludge (MS) and polyethylene terephthalate (PET) was estimated using kinetic analysis via thermogravimetric (TG) analysis and pyrolyzer-gas chromatography/mass spectrometry (Py-GC/MS). The co-feeding of MS and MS ash to PET pyrolysis decreased the PET decomposition temperature, from 427 °C to 409 °C by MS and to 420 °C by MS ash. The production amount of mono aromatic hydrocarbons (MAHs) on the pyrolysis of PET and MS was also increased by 2.5 times compared to the theoretical value by applying their co-pyrolysis. Additional use of MS ash for the co-pyrolysis of PET and MS further increased MAHs by 4.1 times compared to the theoretical value because of the radical enhancement and the catalytic effect of ash in MS. The amount of MAHs on the co-pyrolysis of PET and MS was increased by 9 times larger than the theoretical value for the co-pyrolysis of PET (0.5 mg) and MS (0.5 mg) at 500 °C by applying the increased reaction temperature (from 500 °C to 600 °C) and MS co-feeding amount (from 0.5 mg to 1.0 mg) to the pyrolysis of PET (0.5 mg). [ABSTRACT FROM AUTHOR]

Quartz tuning forks (QTFs), which were coated with gold and with self-assembled monolayers (SAM) of a lower-rim functionalized calix[4]arene methoxy ester (CME), were used for the detection of benzene, toluene, and ethylbenzene in water samples. The QTF device was tested by measuring the respective frequency shifts obtained using small (100 µL) samples of aqueous benzene, toluene, and ethylbenzene at four different concentrations (10−12, 10−10, 10−8, and 10−6 M). The QTFs had lower limits of detection for all three aromatic hydrocarbons in the 10−14 M range, with the highest resonance frequency shifts (±5%) being shown for the corresponding 10−6 M solutions in the following order: benzene (199 Hz) > toluene (191 Hz) > ethylbenzene (149 Hz). The frequency shifts measured with the QTFs relative to that in deionized water were inversely proportional to the concentration/mass of the analytes. Insights into the effects of the alkyl groups of the aromatic hydrocarbons on the electronic interaction energies for their hypothetical 1:1 supramolecular host–guest binding with the CME sensing layer were obtained through density functional theory (DFT) calculations of the electronic interaction energies (ΔIEs) using B3LYP-D3/GenECP with a mixed basis set: LANL2DZ and 6-311++g(d,p), CAM-B3LYP/LANL2DZ, and PBE/LANL2DZ. The magnitudes of the ΔIEs were in the following order: [Au4-CME⊃[benzene] > [Au4-CME]⊃[toluene] > [Au4-CME]⊃[ethylbenzene]. The gas-phase BSSE-uncorrected ΔIE values for these complexes were higher, with values of −96.86, −87.80, and −79.33 kJ mol−1, respectively, and −86.39, −77.23, and −67.63 kJ mol−1, respectively, for the corresponding BSSE-corrected values using B3LYP-D3/GenECP with LANL2dZ and 6-311++g(d,p). The computational findings strongly support the experimental results, revealing the same trend in the ΔIEs for the proposed hypothetical binding modes between the tested analytes with the CME SAMs on the Au-QTF sensing surfaces. [ABSTRACT FROM AUTHOR]

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• Field and laboratory experiments were designed to investigate cyanobacterial AH emission. • The biochemical process of toluene could be different from that of other AHs. • AH emission profile of cyanobacteria could change over their lifetime. • Biogenic emission was a potential source of atmospheric AHs. As important precursors of ozone (O 3) and secondary organic aerosol (SOA), reactive aromatic hydrocarbons (AHs) have typically been classified as anthropogenic air pollutants. However, biogenic emission can also be a potential source of atmospheric AHs. Herein, field observations in a eutrophic lake were combined with laboratory incubation experiments to investigate the biogenic AH emission. Field work showed that the water-air fluxes of AHs measured at sites with high cyanobacteria abundance could reach an order of magnitude greater than those at sites with low cyanobacteria abundance, suggesting that cyanobacteria could be the important contributor to measured AHs. Laboratory incubation experiments further confirmed the AH emission of cyanobacteria and revealed that the emission could change significantly over the lifespan of cyanobacteria and varied to their growing conditions. By combining field observations and laboratory incubation experiments, it has been suggested that the emission of different AH species from cyanobacteria could be modulated by variable biogeochemical mechanisms and that the biochemical process of toluene could be different from that of other AHs. This study investigates AH emissions from inland aquatic ecosystem and suggests that biogenic emission could be a potential source of atmospheric AHs. [Display omitted] [ABSTRACT FROM AUTHOR]

Synchronous fluorescence spectroscopy (SFS) is a technique that involves the simultaneous detection of fluorescence excitation and emission at a constant wavelength difference. The spectrum yields bands that are narrower and less complex than the original excitation and emission bands. The SFS bands correspond uniquely to the fluorescing molecule. Our investigation focuses on evaluating the sensitivity of the SFS technique for the detection and quantitation of PAHs relevant to astrochemistry. Results are presented for naphthalene, anthracene, and pyrene in three different solvents: n-hexane, water, and ethanol. SF bands are obtained with a constant wavelength difference between the peak excitation and emission wavelength (Δλ = λex − λem) at a concentration ranging from 10−4 to 10−10 M. Limit of detection (LOD) and limit of quantitation (LOQ) calculations are based on integrated SF band areas at different concentrations. Spectra of 23 pg/g of anthracene, 16 pg/g, and 2.6 pg/g of pyrene are recorded using ethanol as the solvent. The PAHs exhibit detection limits in the fractions of parts-per-billion (ng/g) range. Through comparison with similar prior studies employing fluorescence emission, our findings reveal a better detectability limit, demonstrating the effectiveness and applicability of the SFS technique.

Mineral oil hydrocarbons (MOH) are composed of saturated hydrocarbons (MOSH) and aromatic hydrocarbons (MOAH). Due to the complexity of the MOH composition, their complete chemical characterisation is not possible. MOSH accumulation is observed in various tissues, with species‐specific differences. Formation of liver epithelioid lipogranulomas and inflammation, as well as increased liver and spleen weights, are observed in Fischer 344 (F344) rats, but not in Sprague–Dawley (SD) rats. These effects are related to specific accumulation of wax components in the liver of F344 rats, which is not observed in SD rats or humans. The CONTAM Panel concluded that F344 rats are not an appropriate model for effects of MOSH with wax components. A NOAEL of 236 mg/kg body weight (bw) per day, corresponding to the highest tested dose in F344 rats of a white mineral oil product virtually free of wax components, was selected as relevant reference point (RP). The highest dietary exposure to MOSH was estimated for the young population, with lower bound–upper bound (LB–UB) means and 95th percentiles of 0.085–0.126 and 0.157–0.212 mg/kg bw per day, respectively. Considering a margin of exposure approach, the Panel concluded that the present dietary exposure to MOSH does not raise concern for human health for all age classes. Genotoxicity and carcinogenicity are associated with MOAH with three or more aromatic rings. For this subfraction, a surrogate RP of 0.49 mg/kg bw per day, calculated from data on eight polycyclic aromatic hydrocarbons, was considered. The highest dietary exposure to MOAH was also in the young population, with LB–UB mean and 95th percentile estimations of 0.003–0.031 and 0.011–0.059 mg/kg bw per day, respectively. Based on two scenarios on three or more ring MOAH contents in the diet and lacking toxicological information on effects of 1 and 2 ring MOAH, a possible concern for human health was raised. This publication is linked to the following EFSA Journal article: https://efsa.onlinelibrary.wiley.com/doi/10.2903/j.efsa.2023.p210901 [ABSTRACT FROM AUTHOR]

In this work, dynamic viscosities of hydrocarbons and ionic liquids are studied. At high temperatures in these materials, a decrease in the value of dynamic viscosity was observed. Intermolecular interactions in the objects of study have been studied. It has been established that the intermolecular interaction in hydrocarbons is determined by the Born potential (φ ∼ r − n). In this case, the temperature dependence of the dynamic viscosity of hydrocarbons is described by the law η ∼ T − m . It has been established that the dynamic viscosity of hydrocarbons in liquid form has a non-activating character. This occurs directly due to momentum transfer by phonons between adjacent layers located at a distance of nanometers. [ABSTRACT FROM AUTHOR]

The new Lewis acid–base adducts of general formula X(nad)B←NC5H4-C5H4N→B(nad)X [nad = 1,8-O2C10H6, X = C6H5 (2c), 3,4,5-F3-C6H2 (2d)] were synthesized in high yields via reactions of 1,8-dihydroxy naphthalene [nadH2] and 4,4′-bipyridine with the aryl boronic acids C6H5B(OH)2 and 3,4,5-F3-C6H2B(OH)2, respectively, and structurally characterized by multi-nuclear NMR spectroscopy and SCXRD. Self-assembled H-shaped Lewis acid–base adduct 2d proved to be effective in forming thermally stable host–guest complexes, 2d × solvent, with aromatic hydrocarbon solvents such as benzene, toluene, mesitylene, aniline, and m-, p-, and o-xylene. Crystallographic analysis of these solvent adducts revealed host–guest interactions to primarily occur via π···π contacts between the 4,4′-bipyridyl linker and the aromatic solvents, resulting in the formation of 1:1 and 1:2 host–guest complexes. Thermogravimetric analysis of the isolated complexes 2d × solvent revealed their high thermal stability with peak temperatures associated with the loss of solvent ranging from 122 to 147 °C. 2d, when self-assembled in an equimolar mixture of m-, p-, and o-xylene (1:1:1), preferentially binds to o-xylene. Collectively, these results demonstrate the ability of 1,8-dihydroxy naphthalene to serve as an effective building block in the selective self-assembly to supramolecular aggregates through dative covalent N→B bonds. [ABSTRACT FROM AUTHOR]

Petroleum oil pollution is a worldwide problem that results from the continuous exploration, production, and consumption of oil and its products. Petroleum hydrocarbons are produced as a result of natural or anthropogenic practices, and their common source is anthropogenic activities, which impose adverse effects on the ecosystem's nonliving and living components including humans. Phytoremediation of petroleum hydrocarbon-polluted soils is an evolving, low-cost, and effective alternative technology to most traditional remediation methods. The objective of this study is to evaluate the phytoremediation potentiality of Vinca rosea for crude oil-contaminated soil by understanding its properties and involvement in the enhanced degradation of crude oil. The remediation potentiality was determined by evaluating the total petroleum hydrocarbon degradation percentage (TPH%) and changes in the molecular type composition of saturated and aromatic hydrocarbon fractions. TPH% was estimated gravimetrically, and changes in the molecular type composition of saturated and aromatic fractions were measured using gas chromatography and high-performance liquid chromatography, respectively. Sulfur concentration was measured using X-ray fluorescence. Cadmium and lead quantification was measured using Inductively Coupled Plasma-Atomic Emission Spectrometry (ICP-AES). The results revealed that V. rosea enhanced total petroleum hydrocarbon (TPH) degradation and altered the molecular composition of the crude oil. The saturated hydrocarbons increased and the aromatic hydrocarbons decreased. The saturated hydrocarbon fraction in the crude oil showed a wider spectrum of n-paraffin peaks than the oil extracted from unplanted and V. rosea-planted soils. Polyaromatic hydrocarbon degradation was enhanced in the presence of V. rosea, which was reflected in the increase of monoaromatic and diaromatic constituents. This was parallel to the increased sulfur levels in planted soil. The determination of sulfur and heavy metal content in plant organs indicated that V. rosea can extract and accumulate high amounts from polluted soils. The ability of V. rosea to degrade TPH and alter the composition of crude petroleum oil by decreasing the toxicity of polyaromatic hydrocarbons in soil, as well as its capability to absorb and accumulate sulfur and heavy metals, supports the use of plant species for the phytoremediation of crude oil-polluted sites. [ABSTRACT FROM AUTHOR]

Oil in the Jarvis structure underlying the main Upper Jurassic reservoir at the Ettrick oilfield (Outer Moray Firth, UK northern North Sea) is present in Upper Permian (Zechstein) carbonates. The origin of this "Jarvis oil" is investigated in this paper using a multidisciplinary approach based on data from well‐logs and cores from wells 20/02‐2 and 20/02‐3. Reservoirs at the Jarvis structure consist of carbonates in the upper part of the Halibut Carbonate Formation (Ca2) and in the Carbonate Member of the Turbot Anhydrite Formation (Ca3). These carbonates are typical Zechstein dolomites composed of a range of facies from mudpackstones with storm beds deposited at moderate water depths to shoreface bioclastic‐oolitic packstones to shallow‐subtidal and intertidal microbial laminites. Interbedded anhydrites replace sabkha and lagoonal selenitic gypsum. Several shallowing‐upward units are recognised. Molecular analysis of the Jarvis oil, and comparisons with biomarker and other geochemical data from extracts of Zechstein cores and published data from different source rocks from the North Sea area, suggest that the oil was generated by marine, OM‐rich shales in the Upper Jurassic Kimmeridge Clay Formation. The oil was generated at peak oil window maturity and is characterised by high Pr/Ph, BNH/H and DBT/P ratios, and abundant C28 steranes and C28+29 monoaromatic and C26R + C27S triaromatic steroids. The molecular composition of organic material in extracts of core samples of Zechstein carbonates from wells in the Jarvis structure differs significantly from that of the Jarvis oil. Biomarkers such as BNH are absent in the core extracts, and there are different distributions and abundances of saturated and aromatic hydrocarbons, likely controlled by thermal maturity. [ABSTRACT FROM AUTHOR]

This paper addresses the historical environmental impact of Bydgoszcz's 'Old Gasworks,' located on Jagiellońska Street on the Brda River--one of Poland's oldest and longest-operating gas production facilities. Municipal gas derived from dry coal distillation served both municipal and industrial purposes until 1973. However, the production process, marked by significant nuisances, particularly affected the ground and water environment. Pollutants, primarily organic compounds such as aromatic hydrocarbons, including PAHs (polycyclic aromatic hydrocarbons), and BTEX hydrocarbons (benzene, toluene, ethylbenzene, xylenes), phenol and mineral oil, entered the environment through equipment failures, leaks, and the improper storage of wastewater and technological waste. One of the major sources of contamination was inadequately executed construction activities related to the dismantling of installations and the liquidation of sewage and waste storage tanks. This paper presents the findings of a comprehensive study focusing on hydrocarbon concentrations in groundwater at the 'Old Gasworks' in Bydgoszcz and proposes effective methods for treating the water environment. [ABSTRACT FROM AUTHOR]

The relevance of the work is related to the development of active and selective catalysts for processing natural and petroleum associated gases, the main component of which is methane, into valuable chemical products. Methane non-oxidative conversion into aromatic hydrocarbons on zeolite-containing catalysts modified with metals is of the greatest interest. The aim of this work is comparative study of physicochemical and catalytic properties in methane non-oxidative conversion into aromatic hydrocarbons of Mo-containing catalysts based on granular zeolites ZSM-5 of a high degree of crystallinity with a hierarchical porous structure before and after dealuminating with aqueous solution of citric acid. Methods: X-ray fluorescence analysis, XRF, SEM, nitrogen low-temperature adsorption, temperature-programmed desorption of ammonia (TPD-NH3), gas chromatography. Results. The paper presents the results of the investigation of physicochemical and catalytic properties of granular hierarchically porous Mo-containing ZSM-5 zeolites with different level of acidity in the course of non-oxidative conversion of methane to aromatic hydrocarbons. It is shown that catalysts based on a granular high crystalline ZSM-5 zeolite with a hierarchical porous structure are more effective in the nonoxidative conversion of methane compared to a catalyst prepared by a traditional method with a binder. It was found out that the highest methane conversion and the maximum yield of aromatic hydrocarbons are 18,3 and 14,4 %, respectively. These results are achieved over a catalytic system prepared by applying 4 wt. % of MoO3 on a granular hierarchically porous ZSM-5 zeolite of high crystallinity dealuminated by the treatment with 0,3 N citric acid solution. The maximum total selectivity of formation of aromatic hydrocarbons is observed on the Mo/ZSM-5mmm catalyst. At the same time, the selectivity of aromatic hydrocarbons on the catalysts Mo/ZSM-5mmm and Mo/ZSM-5mm/CA differ slightly.

Abstract Lignin is a promising alternative to traditional fossil resources for producing biofuels due to its aromaticity and renewability. Pyrolysis is an efficient technology to convert lignin to valuable chemicals, which is beneficial for improving lignin valorization. In this review, pyrolytic behaviors of various lignin were included, as well as the pyrolytic mechanism consisting of initial, primary, and charring stages were also introduced. Several parallel reactions, such as demethoxylation, demethylation, decarboxylation, and decarbonylation of lignin side chains to form light gases, major lignin structure decomposition to generate phenolic compounds, and polymerization of active lignin intermediates to yield char, can be observed through the whole pyrolysis process. Several parameters, such as pyrolytic temperature, time, lignin type, and functional groups (hydroxyl, methoxy), were also investigated to figure out their effects on lignin pyrolysis. On the other hand, zeolite-driven lignin catalytic pyrolysis and lignin co-pyrolysis with other hydrogen-rich co-feedings were also introduced for improving process efficiency to produce more aromatic hydrocarbons (AHs). During the pyrolysis process, phenolic compounds and/or AHs can be produced, showing promising applications in biochemical intermediates and biofuel additives. Finally, some challenges and future perspectives for lignin pyrolysis have been discussed.

We studied the micellar and solubilizing properties of aqueous solutions of unfractionated rhamnolipids produced by Pseudomonas aeruginosa. We used nuclear magnetic resonance (NMR) diffusometry, dynamic light scattering, and conductometry to measure the critical micelle concentration (CMC) of rhamnolipid solutions and determined the effective hydrodynamic radii of rhamnolipid monomers and micelles. Based on selective measurements of the self‐diffusion coefficients of molecules, performed by NMR diffusometry, the solubilizing properties of rhamnolipids were studied depending on their concentration in solution; aromatic hydrocarbons, benzene, toluene, ethylbenzene, and para‐xylene were taken as solubilizates. On the basis of the measurement results, we estimated the distribution coefficient of the solubilizate between the micellar (solubilized) and free (in the aqueous phase) states and the solubilizing capacity of rhamnolipid micelles. [ABSTRACT FROM AUTHOR]

Aromatic hydrocarbons such as benzene, toluene, ethylbenzene, and xylene isomers (BTEX) are hazardous air pollutants from industrial processes which have raised many concerns recently. In particular, Bituminous waterproofing (BW) plants are one of the major sources of BTEX compounds. Elimination of these toxic compounds, even in small amounts requires careful attention to modify and improve process performance. In this study, the process of removing BTEX contaminants from a BW production plant has been accomplished by simulation using Aspen Hysys software. In this regard, the process modification based on the Incinerator designing and using the thermal oxidation method has been evaluated. The optimization study involves the analysis of key variables such as temperature and residence time for optimization. According to the results, the incinerator's control efficiency (CF) in removing BTEX pollutants is reported to be 98.5%. Moreover, the energy consumption index has reduced fuel consumption by 23% compared to the system's performance without an incinerator in the same CF. [ABSTRACT FROM AUTHOR]