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1.
Heliyon ; 10(11): e32109, 2024 Jun 15.
Artigo em Inglês | MEDLINE | ID: mdl-38882344

RESUMO

The first step to achieving an energy transition is partially substituting fossil fuels with other more environmentally friendly alternatives, such as hydrogen gas. The current research aims to evaluate the influence of hydrogen in a diesel generator fueled with rice bran biodiesel. The above encourages the use of hydrogen and biodiesel production from residual raw material. For the development of the research, a diesel engine bench was used, which operated in five load conditions: 20 %, 40 %, 60 %, 80 %, and 100 %, and was fed with three fuels: -100 %, RB-10 %, and RB-10 % + H2(30 %). The results show that the mixture RB-10 % + H2(30 %) causes a 3.14 % reduction in BSFC and a 3.26 % increase in energy conversion efficiency. In addition, it is observed that a 9.90 %, 12.57 %, and 10.99 % decrease in HC, CO, and smoke opacity emissions compared to pure diesel. On the other hand, the mixture RB-10 % + H2(30 %) reduces by 4.44 %, 5.07 %, and 7.06 % the environmental, social, and ecological impact due to CO2, HC, and CO emissions, as well as a 3.93 % reduction in engine operating cost compared to RB-10 % biodiesel. In general, hydrogen injection is a promising alternative to promote the use of rice bran biodiesel due to its increased performance characteristics and reduced pollutant emissions without the need to modify the engine.

2.
Chemphyschem ; 25(14): e202400341, 2024 Jul 15.
Artigo em Inglês | MEDLINE | ID: mdl-38878294

RESUMO

Despite prenol emerging as a next-generation biofuel, some questions about its mechanism still need to be adequately proposed to rationalize its consumption and evaluate its efficiency in spark-ignition (SI) engines. Here, we present new insights into the reaction mechanism of prenol (3-methyl-2-buten-1-ol) with OH radicals as a function of temperature and pressure. We have determined that the different temperature and pressure conditions control the preferred products. At combustion temperatures and low pressures, OH-addition adducts are suppressed, increasing the formation of α and δ allylic radicals responsible for the auto-ignition.

3.
Sci Rep ; 14(1): 10391, 2024 05 06.
Artigo em Inglês | MEDLINE | ID: mdl-38710729

RESUMO

Colombia has great potential to produce clean energy through the use of residual biomass from the agricultural sector, such as residues obtained from the life cycle of rice production. This document presents a mixed approach methodology study to examine the combustion of rice husks as a possible energy alternative in the Tolima department of Colombia. First, the physicochemical characteristics of the rice husk were analyzed to characterize the raw material. Next, System Advisor Model (SAM) software was used to model a bioenergy plant to obtain biochar, bio-oil, and biogas from the combustion of rice husks and generate performance matrices, such as thermal efficiency, heat rate, and capacity factor. Then, the project was evaluated for financial feasibility using a mathematical model of net present value (NPV) with a planning horizon of 5 years. Finally, a subset of the local population was surveyed to assess perspectives on the project in the region. The results of the rice husk physicochemical analysis were the following: nitrogen content (0.74%), organic carbon (38.04%), silica (18.39%), humidity determination (7.68%), ash (19.4%), presence of carbonates (< 0.01%), and pH (6.41). These properties are adequate for the combustion process. The SAM simulation showed that the heat transferred in the boiler was 3180 kW, maintaining an efficiency between 50 and 52% throughout the 12 months of the year, meaning that the rice husk can generate electricity and thermal energy. The financial analysis showed that the internal rate of return (IRR) was 6% higher than the opportunity interest rate (OIR), demonstrating economic feasibility of the project. The design and creation of a rice husk processing plant is socially and environmentally viable and has the potential to contribute to the economic development of the Tolima community and reduce greenhouse gases. Likewise, this activity has the potential to promote energy security for consumers and environmental sustainability while at the same time being economically competitive.


Assuntos
Oryza , Oryza/química , Colômbia , Biocombustíveis/análise , Biomassa , Agricultura/métodos , Carvão Vegetal/química
4.
Data Brief ; 54: 110390, 2024 Jun.
Artigo em Inglês | MEDLINE | ID: mdl-38646189

RESUMO

This study presents performance and emissions data of an Otto cycle mono-cylinder combustion engine operating with two different compression rates and several mixtures of anhydrous ethanol fuel and water. The instrumented engine was mounted on a dynamometer with the ignition point and injection fuel advance calibrated to obtain the maximum torque and mixture in stoichiometric conditions. Characteristic engine performance parameters and emission fractions from its exhaust system were acquired from 2,000 rpm to 4,000 rpm with fuel mixtures of up to 50% water content. To our knowledge, data on this extreme operating condition are not available in the literature.

5.
Heliyon ; 10(5): e26892, 2024 Mar 15.
Artigo em Inglês | MEDLINE | ID: mdl-38434324

RESUMO

Currently, the modeling of complex chemical-physical processes is drastically influencing industrial development. Therefore, the analysis and study of the combustion process of the boilers using machine learning (ML) techniques are vital to increase the efficiency with which this equipment operates and reduce the pollution load they contribute to the environment. This work aims to predict the emissions of CO, CO2, NOx, and the temperature of the exhaust gases of industrial boilers from real data. Different ML algorithms for regression analysis are discussed. The following are input variables: ambient temperature, working pressure, steam production, and the type of fuel used in around 20 industrial boilers. Each boiler's emission data was collected using a TESTO 350 Combustion Gas Analyzer. The modeling, with a machine learning approach using the Gradient Boosting Regression algorithm, showed better performance in the predictions made on the test data, outperforming all other models studied. It was achieved with predicted values showing a mean absolute error of 0.51 and a coefficient of determination of 99.80%. Different regression models (DNN, MLR, RFR, GBR) were compared to select the most optimal. Compared to models based on Linear Regression, the DNN model has better prediction performance. The proposed model provides a new method to predict CO2, CO, NOx emissions, and exhaust gas outlet temperature.

6.
Sensors (Basel) ; 24(5)2024 Feb 28.
Artigo em Inglês | MEDLINE | ID: mdl-38475102

RESUMO

This research focuses on the analysis of vibration of a compression ignition engine (CIE), specifically examining potential failures in the Fuel Rail Pressure (FRP) and Mass Air Flow (MAF) sensors, which are critical to combustion control. In line with current trends in mechanical system condition monitoring, we are incorporating information from these sensors to monitor engine health. This research proposes a method to validate the correct functioning of these sensors by analysing vibration signals from the engine. The effectiveness of the proposal is confirmed using real data from a Common Rail Direct Injection (CRDi) engine. Simulations using a GT 508 pressure simulator mimic FRP sensor failures and an adjustable potentiometer manipulates the MAF sensor signal. Vibration data from the engine are processed in MATLAB using frequency domain techniques to investigate the vibration response. The results show that the proposal provides a basis for an efficient predictive maintenance strategy for the MEC engine. The early detection of FRP and MAF sensor problems through a vibration analysis improves engine performance and reliability, minimizing downtime and repair costs. This research contributes to the advancement of monitoring and diagnostic techniques in mechanical engines, thereby improving their efficiency and durability.

7.
Anal Bioanal Chem ; 416(11): 2859-2870, 2024 May.
Artigo em Inglês | MEDLINE | ID: mdl-38459967

RESUMO

Microwave-induced combustion (MIC) was proposed in this study for honey decomposition aiming for As, Cd, Hg, and Pb determination by inductively coupled plasma mass spectrometry (ICP-MS). Sample mass (up to 1.0 g), absorbing solution (0.5 to 14.4 mol L-1 HNO3, and H2O), heating program, and combustion aids were evaluated. The Eurachem guidelines were used for method validation. The proposed method enabled combustion of a high sample mass (0.8 g of honey, with 0.4 g of microcrystalline cellulose and 100 µL of 6 mol L-1 NH4NO3) using 6 mL of an absorbing solution consisting of 1 mol L-1 HNO3, which resulted in low residual carbon in solution (< 25 mg L-1). Honey samples from different geographical origins were analyzed. Results showed no significant difference in comparison to other two microwave decomposition methods, based on microwave-assisted wet digestion with single reaction chamber (MAWD-SRC) and microwave-assisted wet digestion (MAWD). Standard addition experiments resulted in recoveries higher than 98%. The limits of detection ranged from 1.10 (As) to 4.60 ng g-1 (Pb). In addition to using only diluted reagents and resulting in digests virtually free of interferences, the proposed method was faster (< 30 min) than most of those presented in the literature.


Assuntos
Mel , Micro-Ondas , Espectrometria de Massas/métodos , Chumbo , Análise Espectral
8.
Environ Pollut ; 346: 123568, 2024 Apr 01.
Artigo em Inglês | MEDLINE | ID: mdl-38382732

RESUMO

Current methods for measuring black carbon aerosol (BC) by optical methods apportion BC to fossil fuel and wood combustion. However, these results are aggregated: local and non-local combustion sources are lumped together. The spatial apportioning of carbonaceous aerosol sources is challenging in remote or suburban areas because non-local sources may be significant. Air quality modeling would require highly accurate emission inventories and unbiased dispersion models to quantify such apportionment. We propose FUSTA (FUzzy SpatioTemporal Apportionment) methodology for analyzing aethalometer results for equivalent black carbon coming from fossil fuel (eBCff) and wood combustion (eBCwb). We applied this methodology to ambient measurements at three suburban sites around Santiago, Chile, in the winter season 2021. FUSTA results showed that local sources contributed ∼80% to eBCff and eBCwb in all sites. By using PM2.5 - eBCff and PM2.5 - eBCwb scatterplots for each fuzzy cluster (or source) found by FUSTA, the estimated lower edge lines showed distinctive slopes in each measurement site. These slopes were larger for non-local sources (aged aerosols) than for local ones (fresh emissions) and were used to apportion combustion PM2.5 in each site. In sites Colina, Melipilla and San Jose de Maipo, fossil fuel combustion contributions to PM2.5 were 26 % (15.9 µg m-3), 22 % (9.9 µg m-3), and 22 % (7.8 µg m-3), respectively. Wood burning contributions to PM2.5 were 22 % (13.4 µg m-3), 19 % (8.9 µg m-3) and 22% (7.3 µg m-3), respectively. This methodology generates a joint source apportionment of eBC and PM2.5, which is consistent with available chemical speciation data for PM2.5 in Santiago.


Assuntos
Poluentes Atmosféricos , Poluentes Atmosféricos/análise , Material Particulado/análise , Monitoramento Ambiental/métodos , Estações do Ano , Fuligem/análise , Combustíveis Fósseis/análise , Aerossóis/análise , Carbono/análise
9.
Environ Sci Pollut Res Int ; 31(12): 17706-17717, 2024 Mar.
Artigo em Inglês | MEDLINE | ID: mdl-37351748

RESUMO

This work conducted experimental combustion on a closed chamber using two different materials: mixture (1:1) sugarcane bagasse/straw and pre-treated biomass. The sampling method was an Andersen cascade impactor with eight stages. Tests were carried out on untreated biomass varying the velocities observed in the sampling duct (4.18; 5.20, 6.85, and 8.21 m.s-1). Pre-treated biomass tests were performed at 4.19 m.s-1 because in this condition there is a higher speed stability inside the duct. During the combustion tests, the concentration of emitted particles was higher for the lower speed range, with an order of 4.19 > 5.40 > 6.85 > 8.21 m.s-1. The higher speeds observed inside the duct behaved as a dragging agent for particulate material. For the tests at the speed of 8.21 m.s-1 where the flow inside the duct was 0.088 m3s-1, this behavior is more evident. Considering the fine diameter particles (< 2.5 µm), they were emitted in a higher concentration, due to the biomass combustion process, which results in higher emission of ultrafine particles. The emission factors (EFs) obtained for PM10 for untreated biomass were in the range of 0.414 and 0.840. On the other hand, considering the pre-treated biomass, these factors were 0.70 and 1.51. The EFs of PM from the burning of the pre-treated biomass were higher when compared to untreated biomass, which is mainly due to the higher temperature of the process due to the higher HHV (higher heating value) of this material, caused by the removal of hemicellulose (4.71 times) and a proportional increase in lignin (1.52 times). Biomass combustion has the potential to partially replace fossil fuels in heat and energy generation. Nevertheless, more stringent and comprehensive legislation should be established to ensure that air quality is maintained. Furthermore, the emission factors obtained in this study might be useful as input data for air quality modeling in the context of sugarcane's burning biomass, thus, contributing to the generation of inventories that include emissions of this nature.


Assuntos
Poluentes Atmosféricos , Saccharum , Poluentes Atmosféricos/análise , Celulose , Material Particulado/análise , Biomassa
10.
Bioengineered ; 14(1): 2283264, 2023 12.
Artigo em Inglês | MEDLINE | ID: mdl-37986129

RESUMO

The Colombian sugarcane industry yields significant residues, categorized as agricultural and industrial. While bagasse, a widely studied industrial residue, is employed for energy recovery through combustion, agricultural residues are often left in fields. This study assesses the combustion behavior of these residues in typical collection scenarios. Additionally, it encompasses the characterization of residues from genetically modified sugarcane varieties in Colombia, potentially exhibiting distinct properties not previously documented. Non-isothermal thermogravimetrical analysis was employed to study the thermal behavior of sugarcane industrial residues (bagasse and pith) alongside agricultural residues from two different sugarcane varieties. This facilitated the determination of combustion reactivity through characteristic combustion process temperatures and technical parameters like ignition and combustion indexes. Proximate, elemental, and biochemical analyses revealed slight compositional differences. Agricultural residues demonstrated higher ash content (up to 34%) due to foreign matter adhering during harvesting, as well as soil and mud attachment during collection. Lignin content also varied, being lower for bagasse and pith, attributed to the juice extraction and milling processes that remove soluble lignin. Thermogravimetric analysis unveiled a two-stage burning process in all samples: devolatilization and char formation (~170°C), followed by char combustion (~310°C). Characteristic temperatures displayed subtle differences, with agricultural residues exhibiting lower temperatures and decomposition rates, resulting in reduced ignition and combustion indexes. This indicates heightened combustion reactivity in industrial residues, attributed to their elevated oxygen percentage, leading to more reactive functional groups and greater combustion stability compared to agricultural residues. This information is pertinent for optimizing sugarcane residues utilization in energy applications.


Weather in collection time affects composition of sugarcane agricultural residues.Combustion of sugarcane residues occurs over similar temperature ranges.Industrial residues are more reactive to combustion than agricultural residues.Overall thermal behavior of sugarcane residues depends on their composition.


Assuntos
Lignina , Saccharum , Temperatura , Oxigênio , Biomassa
11.
Chemosphere ; 339: 139779, 2023 Oct.
Artigo em Inglês | MEDLINE | ID: mdl-37567261

RESUMO

Mercury (Hg) emissions from forest fires, especially tropical forests such as the Amazonian forest, were shown to contribute significantly to the atmospheric mercury budget, but new methods are still necessary to improve the traceability and to reduce the great uncertainties related to this emission source. Recent studies have shown that the combustion process can result in Hg stable isotope fractionation that allows tracking coal combustion Hg emissions, as influenced by different factors such as combustion temperature. The main goal of the present study was, therefore, to investigate for the first time the potential of Hg stable isotopes to trace forest fire Hg emissions and pathways. More specifically, small-scale and a large scale prescribed forest fire experiments were conducted in the Brazilian Amazonian forest to study the impact of fire severity on Hg isotopic composition of litter, soil, and ash samples and associated Hg isotope fractionation pathways. In the small-scale experiment, no difference was found in the mercury isotopic composition of the samples collected before and after burning. In contrast, the larger-scale experiment resulted in significant mass dependent fractionation (MDF δ202Hg) in soils and ash suggesting that higher combustion temperature influence Hg isotopic fractionation with the emission of lighter Hg isotopes to the atmosphere and enrichment with heavier Hg in ashes. As for coal combustion, mass independent fractionation was not observed. To our knowledge, these results are the first to highlight the potential of forest fires to cause Hg isotopic fractionation, depending on the fire severity. The results also allowed to establish an isotopic fingerprint for tropical forest fire Hg emissions that corresponds to a mixture of litter and soil Hg isotopic composition (resulting atmospheric δ202Hg, Δ200Hg and Δ199Hg were -1.79 ± 0.24‰, -0.05 ± 0.04‰ and -0.45 ± 0.12‰, respectively).


Assuntos
Mercúrio , Incêndios Florestais , Isótopos de Mercúrio/análise , Mercúrio/análise , Solo , Isótopos , Carvão Mineral/análise , Monitoramento Ambiental
12.
Appl Radiat Isot ; 200: 110975, 2023 Oct.
Artigo em Inglês | MEDLINE | ID: mdl-37579690

RESUMO

The luminescent and dosimetric properties of the MgB4O7 phosphor co-doped with Tm and Dy ions (MgB4O7:Tm,Dy) obtained by the solution combustion technique were investigated. With the prepared material, sintered dosimeters in pellet form were made. The MgB4O7 dosimeters doped with Tm and Dy with 0.25 and 0.10 mol% respectively and sintered at 1223 K for 3 h showed a sensitivity almost 11 times greater than the sensitivity of the TLD-100 commercial dosimeter. The TL response as a function of the gamma dose showed linearity up to 50 Gy followed by a supralinearity region and, above 500 Gy, the saturation region of the electron traps is reached. The fading of the main TL peak was negligible in the first five days after irradiation reaching 13% after 60 days and the lower detection limit was 43 µGy. The kinetic parameters were determined using the deconvolution method revealing general and second order kinetics. The morphology, crystallography and photoluminescence of the prepared phosphor samples are also reported.

13.
Waste Manag Res ; 41(9): 1486-1495, 2023 Sep.
Artigo em Inglês | MEDLINE | ID: mdl-37293743

RESUMO

The Brazilian Northeast region has considerable agricultural potential for corn and cashew nuts production. Residues from these cultures can be densified into pellets and used as heat generators in industries and homes. In this study, corn straw pellets (CSP) and cashew nut shells pellets (CNSP) were handmade, together with a variation using glycerol as a binder (CSGP and CNSGP). All pellets were subjected to chemical, thermal and exhaust gas analyses of their combustion. All analyses were based on two different scenarios: (i) the use of CSP and CSGP for energy supply in residential use and (ii) the use of CNSP and CNSGP for energy supply in industrial use. All pellets were subjected to chemical, thermal and exhaust gas analyses of their combustion. Chemical analysis involved the study of various fuel properties, comprehending moisture content (%U), bulk density (kg m-3), volatile materials (%V), ash content (%C) and fixed carbon (%FC), and all evaluated pellets met two or more international trading standards. The combustion process analyses in the residential scenario showed higher average temperatures and lower carbon monoxide (CO) and nitrogen oxide (NOx) concentrations obtained during CSP combustion than those of CSGP, and in the industrial scenario showed average similar temperatures and lower CO and NOx concentrations obtained during CNSP combustion than those of CNSGP. Ours results demonstrate the great potential of corn straw and cashew nut shells as crops to be integrated into the biomass supply chain for energy generation and agro-ecological development.


Assuntos
Anacardium , Zea mays , Zea mays/química , Nozes/química , Temperatura , Óxidos de Nitrogênio/análise , Óxido Nítrico , Biomassa
14.
J Agric Food Chem ; 2023 Mar 27.
Artigo em Inglês | MEDLINE | ID: mdl-36972393

RESUMO

A strategy for determining the bioaccessibility of bromine and iodine from edible seaweeds was proposed for the first time using microwave-induced combustion (MIC) and ion chromatography coupled to mass spectrometry (IC-MS) after in vitro digestion. The concentrations of bromine and iodine in edible seaweeds using the proposed methods (MIC and IC-MS) were not statistically different from those using MIC and inductively coupled plasma mass spectrometry (p > 0.05). Trueness was assessed by recovery experiments (101-110%, relative standard deviation <10%). Following an in vitro digestion protocol, MIC was proposed as sample preparation for bioaccessible and residual fractions. Using this strategy, the mass balance totaled from 97 to 111%. No statistical difference (p > 0.05) was observed between the total concentration of bromine or iodine and their concentration in bioaccessible and residual fractions for three edible seaweed species, indicating full analyte quantification in the fractions.

15.
Environ Sci Pollut Res Int ; 30(8): 21494-21511, 2023 Feb.
Artigo em Inglês | MEDLINE | ID: mdl-36272000

RESUMO

Rice is among the main foods produced in the world and is part of the daily diet of most families. The main waste from rice processing is rice husk (RH), which has been used as biomass for energy generation through combustion. In this process, rice husk ash (RHA) is generated as a residue, and its silica (SiO2) content varies from 85 to 98%. The present work describes the study of the extraction of silica from RHA by the ultrasound-assisted sol-gel method. An experimental design based on the response surface methodology (RSM) with the symmetrical, second-order rotational central composite design (RCCD) was applied to determine the best extraction conditions considering extraction time and molar ratio (n) as variables = nNaOH/nSilica). These optimal conditions were then applied to three ash samples, two obtained by the combustion process in a boiler furnace, with a mobile grate system (RHAC1 and RHAC2), and one obtained by the pyrolysis process (RHAP) carried out in a fixed bed reactor. Results showed that a molar ratio of 4.4, and an extraction time of 107 min were the best extraction conditions, leading to a yield of 73.3% for RHAP, 43.9% for RHAC1, and 31.1% for RHAC2. It was found that the extraction yield and textural properties of the silica obtained depend on the characteristics of the ash used. The silica extracted from RHAC1 presented a surface area of 465 m2.g-1, mesopores of 4.69 nm, purity greater than 95%, and an ultra-fine granulometric distribution, reaching nanoparticle dimensions, characteristics comparable to commercially available silicas.


Assuntos
Oryza , Dióxido de Silício , Humanos , Dióxido de Silício/química , Oryza/química
16.
Heliyon ; 8(11): e11545, 2022 Nov.
Artigo em Inglês | MEDLINE | ID: mdl-36419662

RESUMO

A large proportion of annual production of worldwide greenhouses gases results from the use of internal combustion engines. This experimental work evaluates the influence of dual-fuel operation on the overall emissions of a low-displacement compression-ignition engine based on operational conditions such as torque, rotational speed, and load. Hydroxy gas is used as a supplementary gaseous fuel while using pure diespel or palm oil biodiesel as baseline fuels. The CO, CO2, NOx, and HC emissions levels were carefully characterized through experimental measurements and statistical analysis. The influence of hydroxy enrichment was also examined on the engine's fuel consumption. The study incorporates an in-house hydroxy generator to store and supply the gas in the intake air system using an electrolyzer. The results demonstrated that the ANOVA analysis provides accurate predictions compared to experimental measurements with less than 5% relative error. The use of hydroxy reduces the SFC by up to 25%, which represents an economic advantage of dual-fuel operation, additionally it decreases CO, HC, and CO2 emissions. However, with hydroxy enrichment, NOx emissions levels escalate at medium and high loads. Overall, hydroxy enrichment demonstrates to be a robust alternative from an environmental and economic perspective. Future research will be focused on evaluating the biodiesel - hydroxy dual operation, broadening the spectrum of biodiesel concentration percentages, and selecting different raw materials for biofuel production.

17.
J Mol Model ; 28(8): 229, 2022 Jul 24.
Artigo em Inglês | MEDLINE | ID: mdl-35871116

RESUMO

This investigation provides accurate rate constant values for a set of elementary reactions relevant to mixtures between molecular hydrogen (H2) and carbon monoxide (CO) such as syngas. We considered intermediates and products including formaldehyde (H2CO), hydroxymethylene (c-HCOH and t-HCOH) and methanol (CH3OH). The calculations were performed employing the improved canonical variational transition state theory with small-curvature tunneling corrections based on high-level electronic structure results. This study demonstrates for the first time that H2 can act as an effective catalyst to the reaction from t-HCOH to H2CO. In this case, the adiabatic barrier height for the reaction decreases from 30.6 kcal⋅mol- 1 to 18.1 kcal⋅mol- 1 in the presence of H2. The results obtained here can improve the comprehension regarding processes such as the combustion of hydrogen-rich syngas.

18.
Sensors (Basel) ; 22(14)2022 Jul 06.
Artigo em Inglês | MEDLINE | ID: mdl-35890757

RESUMO

Besides the failures that cause accidents, there are the ones responsible for preventing the car's motion capacity. These failures cause inconveniences to the passengers and expose them to the dangers of the road. Although modern vehicles are equipped with a failure detection system, it does not provide an online approach to the drivers. Third-party devices and skilled labor are necessary to manage the data for failure characterization. One of the most common failures in engines is called misfire, and it happens when the spark is weak or inexistent, compromising the whole set. In this work, two algorithms are compared, based on Wavelet Multiresolution Analysis (WMA) and another using an approach performing signal analysis based on Chaos using the density of maxima (SAC-DM) to identify misfare in a combustion engine of a working automotive vehicle. Experimental tests were carried out in a car to validate the techniques for the engine without failure, with failure in one piston, and with two failed pistons. The results made it possible to obtain the failure diagnosis for 100% of the cases for both WMA and SAC-DM methods, but a shorter time window when using the last one.


Assuntos
Automóveis , Smartphone , Algoritmos
19.
J Mol Model ; 28(8): 226, 2022 Jul 22.
Artigo em Inglês | MEDLINE | ID: mdl-35869168

RESUMO

Methyl acetate is considered a prototype molecule to study biodiesel ignition and combustion and is seen as a possible fuel or fuel additive. For this reason, methyl acetate decomposition paths have been investigated in recent years. In the present study, hydrogen abstraction reactions on methyl acetate by OH(2Π), HO2(2A'), H(2Σg), O(3P), and O2(3Σg) were conducted, and the effect of methodology and anharmonic corrections on the rate coefficients were evaluated. The M06-2X and B3LYP-D3 functionals with the cc-pVDZ, cc-pVTZ, aug-cc-pVDZ, and aug-cc-pVTZ basis set were used for methodology evaluation and the CCSD(T)/cc-pVTZ//M06-2X/aug-cc-pVTZ for the rate coefficients calculation and literature comparisons. The rate coefficients were calculated in the range of 250-3500 K, including tunneling corrections, methyl-hindered rotations, and anharmonic effects calculated by the VPT2 method. The methodology analysis showed that the B3LYP-D3 functional leads to lower activation energies for all elementary reactions studied, and the double-zeta basis is insufficient to calculate precise rate coefficients. The inclusion of anharmonic corrections consistently lowered the rate coefficients of all elementary reactions studied and changed the Arrhenius plot profile with the temperature. Significant anharmonic effects were observed at higher temperatures, being the reaction with O2(3Σg) the most affected by this correction. Differences superior to 105 cm3 molec-1 s-1 in the rate coefficients were observed in some cases.


Assuntos
Hidrogênio , Teoria Quântica , Acetatos , Modelos Químicos
20.
Environ Sci Pollut Res Int ; 29(44): 67270-67286, 2022 Sep.
Artigo em Inglês | MEDLINE | ID: mdl-35524094

RESUMO

The waste generated by the global fishing industry, such as fish scales, is mostly considered useless and discarded in a disorderly and/or unplanned way in inappropriate places, posing serious risks to both the environment and human health. This study proposes the use of fish scales in combustion processes as an alternative for such residues and to avoid their exposure in urban areas. Combustion experiments were conducted in a drop tube furnace (DTF), and the factors temperature, residence time, and sample particle size were investigated. The main atmospheric pollutants (CO, NO, CO2, and SO2) and the residues generated from the combustion processes were characterized by FTIR, EDS and ICP-OES analyses, and SEM images. The samples showed better performance at 1100 °C and 500 -ms residence time, when the burnout reached 96%, and particle size greater than 300-µm and 300-ms residence time led to the worst combustion performance (24.45% burnout), with the highest CO and NO peaks, indicating incomplete combustion of the fish scales. The analysis of the residues revealed total decomposition of the organic matter at temperatures above 700 °C and formation of hydroxyapatite. According to the DTF results, the use of fish scales in firing processes is a viable treatment of the residues, generating energy and avoiding environmental problems caused by inadequate disposal.


Assuntos
Poluentes Atmosféricos , Poluentes Ambientais , Poluentes Atmosféricos/análise , Animais , Brasil , Dióxido de Carbono/análise , Poluentes Ambientais/análise , Humanos , Hidroxiapatitas , Incineração , Tamanho da Partícula
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