Search Results (62)

This research work seeks to introduce eco-friendly, low-carbon, and high-octane biofuel gasoline production using a synergistic approach. Four types of high-octane gasoline, including SynergyFuel-92, SynergyFuel-95, SynergyFuel-98, and SynergyFuel-100, were generated, emphasizing the deliberate combination of petroleum-derived gasoline fractions using reformate, isomerate, and delayed coking (DC) naphtha with octane-boosting compounds—bio-methanol and bio-ethanol. A set of tests have been performed to examine the effects of antiknock properties, density, oxidation stability, distillation range characteristics, hydrocarbon composition, vapor pressure, and the volatility index on gasoline blends. The experimental results indicated that the gasoline blends made from biofuel (SynergyFuel-92, -95, -98, and 100) showed adherence to important fuel quality criteria in the USA, Europe, and China. These blends had good characteristics, such as low quantities of benzene and sulfur, regulated levels of olefins and aromatics, and good distillation qualities. By fulfilling these strict regulations, Synergy Fuel is positioned as a competitive and eco-friendly substitute for traditional gasoline. The results reported that SynergyFuel-100 demonstrated the strongest hot-fuel-handling qualities and resistance to vapor lock among all the mentioned Synergy Fuels. Finally, the emergence of eco-friendly, low-carbon, and high-octane biofuel gasoline production with synergistic benefits is a big step in the direction of sustainable transportation. Full article

Chemical recycling of plastic waste, especially polyolefins, into valuable liquid fuels is of considerable significance to address the serious issues raised by their threat on environmental and human health. Nevertheless, the construction of efficient and economically viable catalytic systems remains a significant hurdle. Herein, we developed an efficient bifunctional catalyst system comprising γ-Al₂O₃-supported ruthenium nanoparticles (Ru/γ-Al₂O₃) and β-zeolite for the conversion of polyolefins into gasoline-range hydrocarbons. A yield of C_5–12 paraffins up to 73.4% can be obtained with polyethene as the reactant at 250 °C in hydrogen. The Ru sites primarily activate the initial cleavage of C–H bonds of polymer towards the formation of olefin intermediates, which subsequently go through further cracking and isomerization over the acid sites in β-zeolite. Employing in situ infrared spectroscopy and probe–molecule model reactions, our investigation reveals that the optimized proportion and spatial distribution of the dual catalytic sites are pivotal in the tandem conversion process. This optimization synergistically regulates the cracking kinetics and accelerates intermediate transfer, thereby minimizing the production of side C_1–4 hydrocarbons resulting from over-cracking at the Ru sites and enhancing the yield of liquid fuels. This research contributes novel insights into catalyst design for the chemical upgrading of polyolefins into valuable chemicals, advancing the field of plastic waste recycling and sustainable chemical production. Full article

A challenge for the oil refinement industry is the production of high-octane gasoline with a low benzene content. This work reports the calculation of the atmospheric benzene emissions generated from gasoline storage, transfer, and transport operations in Mexico, estimating 1.48 KBPD of environmental release. The aim was to estimate the minimum benzene emissions through operative improvements in refineries, initially by performing simulations of the Naphtha Catalytic Reforming (NCR) process using ASPEN HYSYS^® ver. 8.8 (34.0.08909) and then by optimizing the operative conditions to improve the reformate quality while reducing the benzene content. The operative ranges comprised hydrogen/hydrocarbon (H₂/HC) feedstock molar ratios from 2.0 to 6.0 and reaction temperatures from 450 to 525 °C, which were used as independent variables to assess the benzene content and the Research Octane Number (RON) of the produced gasoline. The Surface Response Method (SRM) and multi-objective optimization analysis were applied. The improved operative conditions were 491 °C and a H₂/HC ratio of 2.0, which allowed us to obtain a RON value of 89.87, an aromatics value of 37.39% (v/v), and a benzene value of 1.48% (v/v), with an estimated 16.44% drop in atmospheric benzene emissions, meaning a reduction in greenhouse gas emissions and climate change, thus favorably impacting public health by improving refinery operations. The simulation outcomes were compared with industrial-scale data and the experimental results, with significant similitudes being observed. Full article

The hydro-upgrading reaction behavior of model compound 1-hexene and FCC middle gasoline was investigated using a fixed-bed hydrogenation microreactor with a prepared La-Ni-Zn/H-ZSM-5 catalyst. The catalyst was prepared by wetness impregnation method, using hydrothermal treated H-ZSM-5 zeolite blended with alumina as the support, and La, Ni, Zn as the active metals. The reaction tests were carried out at 300–380 °C, 1.0 MPa, 1.5–3.0 h⁻¹ (LSHV), and 300:1 v/v (H₂/oil). Analyzing the changes in hydrocarbon components before and after hydro-upgrading elucidated the mechanistic pathways of olefin hydroisomerization and hydroaromatization. Based on these findings, a seven-lump kinetic model was established for the FCC middle gasoline hydro-upgrading process. Given the diversity and complexity of reaction products, they were grouped into seven lumps: normal paraffins, isoparaffins, linear olefins, branched olefins, cycloolefins, naphthenes, and aromatics. Kinetic parameters were estimated using the Levenberg–Marquardt algorithm and validated against experimental data. The results showed that the conversion of naphthenes to aromatics exhibited the highest activation energy and pre-exponential factor, resulting in the largest reaction rate increase within the 320–380 °C range. The model accurately predicted the product yields of FCC gasoline hydro-upgrading, with a relative error of less than 5%. These findings provide valuable guidance for the optimization, design, and operation of FCC gasoline hydro-upgrading units, as well as for catalyst development, with the aim of improving process efficiency and fuel quality. Full article

The current paradigm of low-T combustion and autoignition of hydrocarbons is based on the sequential two-step oxygenation of fuel radicals. The key chain-branching occurs when the second oxygenation adduct (OOQOOH) is isomerized releasing an OH radical and a key ketohydroperoxide (KHP) intermediate. The subsequent homolytic dissociation of relatively weak O–O bonds in KHP generates two more radicals in the oxidation chain leading to ignition. Based on the recently introduced intramolecular “catalytic hydrogen atom transfer” mechanism (J. Phys. Chem. 2024, 128, 2169), abbreviated here as I-CHAT, we have identified a novel unimolecular decomposition channel for KHPs to form their classical isomers—enol hydroperoxides (EHP). The uncertainty in the contribution of enols is typically due to the high computed barriers for conventional (“direct”) keto–enol tautomerization. Remarkably, the I-CHAT dramatically reduces such barriers. The novel mechanism can be regarded as an intramolecular version of the intermolecular relay transfer of H-atoms mediated by an external molecule following the general classification of such processes (Catal. Rev.-Sci. Eng. 2014, 56, 403). Here, we present a detailed mechanistic and kinetic analysis of the I-CHAT-facilitated pathways applied to n-hexane, n-heptane, and n-pentane models as prototype molecules for gasoline, diesel, and hybrid rocket fuels. We particularly examined the formation kinetics and subsequent dissociation of the γ-enol-hydroperoxide isomer of the most abundant pentane-derived isomer γ-C5-KHP observed experimentally. To gain molecular-level insight into the I-CHAT catalysis, we have also explored the role of the internal catalyst moieties using truncated models. All applied models demonstrated a significant reduction in the isomerization barriers, primarily due to the decreased ring strain in transition states. In addition, the longer-range and sequential H-migration processes were also identified and illustrated via a combined double keto–enol conversion of heptane-2,6-diketo-4-hydroperoxide as a potential chain-branching model. To assess the possible impact of the I-CHAT channels on global fuel combustion characteristics, we performed a detailed kinetic analysis of the isomerization and decomposition of γ-C5-KHP comparing I-CHAT with key alternative reactions—direct dissociation and Korcek channels. Calculated rate parameters were implemented into a modified version of the n-pentane kinetic model developed earlier using RMG automated model generation tools (ACS Omega, 2023, 8, 4908). Simulations of ignition delay times revealed the significant effect of the new pathways, suggesting an important role of the I-CHAT pathways in the low-T combustion of large alkanes. Full article

Currently, green hydrogen, generated through renewable energy sources, stands out as one of the best substitutes for fossil fuels in mitigating pollutant emissions and consequent global warming. Particularly, the utilization of hydrogen in spark ignition engines has undergone extensive study in recent years. Many aspects have been analyzed: the conversion of gasoline engines to hydrogen operation, the combustion duration, the heat transfer, and, in general, the engine thermal efficiency. Hydrogen combustion is characterized by a smaller quenching distance compared to traditional hydrocarbon fuels such as gasoline or natural gas and this produces a smaller thermal boundary layer and consequently higher heat transfer. This paper presents findings from experimental trials and numerical simulations conducted on a hydrogen-powered CFR (cooperative fuel research) engine, focusing specifically on heat transfer with combustion chamber walls. The engine has also been fueled with methane and isooctane (two reference fuels); both the engine compression ratio and the air/fuel ratio have been changed in a wide range in order to compare the three fuels in terms of heat transfer, combustion duration, and engine thermal efficiency in different operating conditions. A numerical model has been calibrated with experimental data in order to predict the amount of heat transfer under the best thermal efficiency operating conditions. The results show that, when operated with hydrogen, the best engine efficiency is obtained with a compression ratio of 11.9 and an excess air ratio (λ) of 2. Full article

As global energy consumption grows and environmental concerns intensify, the demand for alternative fuels is becoming increasingly significant. This study investigates the properties and effects of isopropanol when added to gasoline as an alternative fuel. The overall analysis focusing on engine performance and emissions shows the impact of isopropanol as a fuel additive. From the results, an improvement in engine efficiency was observed due to isopropanol’s high-octane number and improved combustion characteristics when added. There are also disadvantages associated with increased fuel consumption due to the lower energy density. Emissions analysis shows that there is a reduction in hydrocarbon and nitrogen oxide emissions with the addition of isopropanol, although with different trends depending on the concentration. The results of the study present the complex relationship between fuel composition and engine performance, offering insights into the possibility of using isopropanol as an alternative fuel in the search for sustainable energy solutions. The results showed that for this engine, it is most effective to add isopropanol in the range of 5–15%, relative to which emissions are prioritized to be reduced. The lower energy density of isopropanol reduces the overall energy density, which increases fuel consumption to achieve efficiency over gasoline-only operation. Full article

This study investigates the effect of oil viscosity on pollutant emissions and fuel consumption of an internal combustion engine (ICE) at high altitudes using a response surface methodology (RSM). A Chevrolet Corsa Evolution 1.5 SOHC gasoline engine was used in Cuenca, Ecuador (2560 m above sea level), testing three lubricating oils with kinematic viscosities of 9.66, 14.08, and 18.5 mm²/s, measured at a temperature of 100 °C under various engine speeds and loads. Key findings include the following: hydrocarbon (HC) emissions were minimized from 150.22 ppm at the maximum load to 7.25 ppm with low viscosity and load; carbon dioxide (CO₂) emissions peaked at 15.2% vol with high viscosity and load; carbon monoxide (CO) ranged from 0.04% to 3.74% depending on viscosity and load; nitrogen oxides (NOx) were significantly influenced by viscosity, RPM, and load, indicating a need for model refinement; and fuel consumption was significantly affected by load and viscosity. RSM-based optimization identified optimal operational conditions with a viscosity of 13 mm²/s, 1473 rpm, and a load of 78%, resulting in 52.35 ppm of HC, 13.97% vol of CO₂, 1.2% vol of CO, 0 ppm of NOx, and a fuel consumption of 6.66 L/h. These conditions demonstrate the ability to adjust operational variables to maximize fuel efficiency and minimize emissions. This study underscores the critical role of optimizing lubricant viscosity and operational conditions to mitigate environmental impact and enhance engine performance in high-altitude environments. Full article

The main goal of this research is the production of e-fuels in gasoline- and diesel-range hydrocarbons via the hydrocracking of wax from Fischer–Tropsch (FT-wax) synthesis. The hydrogen for the hydrocracking process originated from solar energy via water electrolysis, thus, the produced fuels were called e-fuels. The FT-wax was produced via the Fischer–Tropsch synthesis of syngas stream from the chemical looping gasification (CLG) of biogenic residues. For the hydrocracking tests, a continuous-operation TRL3 (Technology Readiness Level) pilot plant was utilized. At first, hydrocracking catalyst screening was performed for the upgrading of the FT-wax. Three hydrocracking catalysts were investigated (Ni-W, Ni-W zeolite-supported, and Ni-W Al₂O₃-supported catalyst) via various operating conditions to identify the optimal operating window for each one. These three catalysts were selected, as they are typical catalysts that are used in the petroleum refinery industry. The optimal catalyst was found to be the NiW catalyst, as it led to high e-fuel yields (38 wt% e-gasoline and 47 wt% e-diesel) with an average hydrogen consumption. The optimum operating window was found at a 603 K reactor temperature, 8.3 MPa system pressure, 1 hr⁻¹ LHSV, and 2500 scfb H₂/oil ratio. In the next phase, the production of 5 L of hydrocracked wax was performed utilizing the optimum NiW catalyst and the optimal operating parameters. The liquid product was further fractionated to separate the fractions of e-gasoline, e-diesel, and e-heavy fuel. The e-gasoline and e-diesel fractions were qualitatively assessed, indicating that they fulfilled almost all EN 228 and EN 590 for petroleum-based gasoline and diesel, respectively. Furthermore, a 12-month storage study showed that the product can be stored for a period of 4 months in ambient conditions. In general, green transportation e-fuels with favorable properties that met most of the fossil fuels specifications were produced successfully from the hydrocracking of FT-wax. Full article

The planned pilot CO₂ storage Zar-3 is an oil field with a gas cap in the final production stage in the SE Czech Republic. It is composed of a dolomite Jurassic reservoir sealed by three different formations that differ significantly in lithology. Previous studies left open questions on the nature of pore space and connectivity and the quality of the seal in the future CO₂ storage complex. Microscopic petrography of the reservoir suggests dolomitisation in shallow water followed by karstification and brecciation with fracture-correct-dominated porosity. The seal horizons have porosity limited to the micro- and nanoscales. The oil consists of significantly biodegraded black oil of Jurassic origin mixed with less biodegraded gasoline-range hydrocarbons. Biomarkers in the caprock bitumens trapped in nanopores show a genetic relationship to the reservoir oil. Gas in the not yet fully depleted gas cap of the field is of thermogenic origin with no contribution of microbial methane. The formation water has total dissolved solids typical of isolated brines not diluted by infiltrated fresh water. The geochemical characteristics of the storage system together with the fact that the initial oil column is about 105 m tall with another 150 m of gas cap suggest that the seals are efficient and the Zar-3 future storage complex is tight and safe. Full article

The polycyclic aromatic hydrocarbons (PAHs) in size-resolved particles emitted from diverse sources are required for quantification to reduce the emissions in order to protect public health. Twenty-four PAHs in size-segregated particles in the roadside environment of Beijing were observed from 1 October 2021 to 30 September 2022. The size distributions of PAHs were bimodal, with peak concentrations ranging from size fractions of 0.43 to 0.65 μm and 4.7 to 5.8 μm in all four seasons, respectively. The highest concentration of PAHs in fine particles (PM_2.1) was 35.3 ng m⁻³ in winter, followed by 16.0 ng m⁻³ in autumn, 15.3 ng m⁻³ in spring, and 6.5 ng m⁻³ in summer. Conversely, the concentration of PAHs in coarse particles (PM_2.1–9) ranged from 6.8 ng m⁻³ (summer) to 20.5 ng m⁻³ (winter) from low to high. The size fractions of 0.43–2.1 μm PAHs increased most from clear to polluted days, which could be ascribed to the heterogeneous reactions. Source apportionment using positive matrix factorization showed that four sources, namely biomass combustion, coal combustion, diesel vehicles, and gasoline vehicles accounted for PAHs with the estimation of 17.4%, 22.1%, 26.4%, and 23.2% to PAHs in PM_2.1; and 19.6%, 24.3%, 23.6%, and 20.1% in PM_2.1–9, respectively. Furthermore, we used the human alveolar epithelial cell (BEAS-2B) to assess the toxicological effects of size-resolved atmospheric PAHs. The results showed that the cell survival rate caused by fine particles was lower than that of coarse particles with the same concentrations of PAHs, which is mainly related to the higher content of highly toxic PAHs in fine particles. Full article

Light-duty vehicle emission regulations worldwide set limits for the following gaseous pollutants: carbon monoxide (CO), nitric oxides (NO_X), hydrocarbons (HCs), and/or non-methane hydrocarbons (NMHCs). Carbon dioxide (CO₂) is indirectly limited by fleet CO₂ or fuel consumption targets. Measurements are carried out at the dilution tunnel with “standard” laboratory-grade instruments following well-defined principles of operation: non-dispersive infrared (NDIR) analyzers for CO and CO₂, flame ionization detectors (FIDs) for hydrocarbons, and chemiluminescence analyzers (CLAs) or non-dispersive ultraviolet detectors (NDUVs) for NO_X. In the United States in 2012 and in China in 2020, with Stage 6, nitrous oxide (N₂O) was also included. Brazil is phasing in NH₃ in its regulation. Alternative instruments that can measure some or all these pollutants include Fourier transform infrared (FTIR)- and laser absorption spectroscopy (LAS)-based instruments. In the second category, quantum cascade laser (QCL) spectroscopy in the mid-infrared area or laser diode spectroscopy (LDS) in the near-infrared area, such as tunable diode laser absorption spectroscopy (TDLAS), are included. According to current regulations and technical specifications, NH₃ is the only component that has to be measured at the tailpipe to avoid ammonia losses due to its hydrophilic properties and adsorption on the transfer lines. There are not many studies that have evaluated such instruments, in particular those for “non-regulated” worldwide pollutants. For this reason, we compared laboratory-grade “standard” analyzers with FTIR- and TDLAS-based instruments measuring NH₃. One diesel and two gasoline vehicles at different ambient temperatures and with different test cycles produced emissions in a wide range. In general, the agreement among the instruments was very good (in most cases, within ±10%), confirming their suitability for the measurement of pollutants. Full article

The development of a compact mechanism has made a great contribution to work on the combustion of hydrocarbon species and facilitates the investigations on chemical kinetics and computational fluid dynamics (CFD) studies. N-propylcyclohexane (NPCH) is one of the important components for jet, diesel, and gasoline fuels which needs a reliable compact reaction kinetics mechanism. This study aims to investigate the construction of a well-validated mechanism for NPCH with a simplified chemical kinetics model that delivers a good prediction ability for the key combustion parameters in a wide range of conditions (temperatures, pressures, and equivalence rates). The NPCH reaction kinetic mechanism was constructed with the aid of a coupling process, simplification process, rate modification, and a combination of standard reduction methods. The model includes a simplified sub-mechanism with 16 species and 58 reactions and a semi-detailed core mechanism with 56 species and 390 reactions. Two key parameters including ignition delay time and laminar flame speed are simulated by the use of ANSYS Chemkin-Pro. The simulation results for these parameters are validated against the available data in the literature, and the results show a good agreement compared to the experimental data over a wide range of conditions covering low to high temperatures at different pressures and equivalence ratios. Full article

With the development of industry and agriculture, polycyclic aromatic hydrocarbons (PAHs) in the agricultural sector have gradually increased to different degrees, leading to an escalation in environmental pollution. In turn, this escalation has presented a significant possibility of endangering agricultural practices on farmland and has had a serious impact on regional sustainable development. Therefore, a total of 117 samples of soil were gathered to research the pollution level, distribution, sources, and health risk of PAHs in Helan farmland soils. A reference was used for the identification and quantification of PAH content using high-performance liquid chromatography (HPLC) with an ultraviolet detector, and their spatial distribution was analyzed utilizing the Arc Geographic Information System (ArcGIS). The source of PAHs was analyzed by absolute principal component scores/multiple linear regression (APCS-MLR). The lifetime cancer risk increment model and Monte Carlo sensitivity analysis were used to assess the potential health hazards to humans associated with PAHs in soil. Within the current study area, PAHs were higher in the northwest. The results showed that the total content of PAHs in Helan farmland soil ranged from 17.82 to 1544.73 ng·g⁻¹ with a mean of 408.18 ng·g⁻¹, which indicated the middle degree of pollution in farmland soil. The verification results of the APCS-MLR model showed that the correlation coefficient between the measured values and the predicted values ranged from 0.661 to 0.984, which suggested that the APCS-MLR model demonstrated favorable suitability for conducting source analysis of PAHs in the soil within the study region. Based on the contribution of PAHs from each source, the main sources of PAHs in Helan farmland soil were the combustion source (biomass, diesel, and natural gas combustion) and the transportation source (gasoline for vehicles and traffic exhaust emissions). The health risks’ estimation showed that PAHs in farmland soil did not have potential health risks for adults but represented a carcinogenic risk for children via the main exposure pathway of ingestion with the mean intake of 1.28 × 10⁻⁵. Meanwhile, the carcinogenic risks (CRs) of dermal contact for the mean value of adults (9.32 × 10⁻⁷) was found to be higher than that for children (3.18 × 10⁻⁸). From the Monte Carlo simulation, the soil particle uptake rate was the most sensitive to the health risks of children and adults with risk probabilities of 26% and 52%, and the risk probabilities from body weight were −11% and −1%, whose negative value indicated that the increase in body weight could reduce the health risks to human. These findings could provide reference for the study of soil organic pollution in Helan farmland soil and contribute significantly to the preservation of the ecological environment, maintaining human health and safety, and promoting the sustainable development of regional farmland. Full article

A capacitive micromachined ultrasound transducer (CMUT) was engineered and functionalized with zeolitic imidazolate framework-8 (ZIF-8) dispersed in a photoresist AZ1512HS (AZ) matrix to function as a gravimetric gas sensor. The sensor response was recorded in the presence of nitrogen, argon, carbon dioxide, and methane gases as well as water, acetylene, a propane/butane mixture, n-hexane, gasoline, and diesel vapors. The photoresist matrix alone was found to have a negligible response to all the gases and vapors, except for water vapor. No visible difference in sensor response was detected when switching from nitrogen to methane gas. However, a strong shift in the sensor resonance frequency was observed when exposed to higher hydrocarbons, ranging from 1 kHz for acetylene to 7.5 kHz for gasoline. Even longer-chain hydrocarbons, specifically kerosene and more so diesel, had a significantly reduced sensor frequency shift compared with gasoline. Sensors functionalized with a thin film of AZ+ZIF-8 demonstrated higher sensitivity in their response to a hydrocarbon molecular mass than without functionalization. Full article