Carbon Monoxide Mole Fraction Research Articles

Additively-manufactured shear tri-coaxial rocket injector mixing and combustion characteristics

A monolithic tri-coaxial propellant injection scheme for enhanced mixing of methane-oxygen in liquid-propellant rocket systems is enabled by additive manufacturing. Mixing and combustion characteristics of the tri-coaxial design are assessed experimentally from 1–69 bar using laser absorption tomography and chemiluminescence imaging, and are compared to a traditionally-manufactured bi-coaxial design. Quantitative two-dimensional images of temperature and carbon monoxide mole fraction are generated from the laser absorption spectroscopy methods, while OH* chemiluminescence provides an approximate metric for combustion heat release defining flame length and injector standoff distance. At similar pressures and oxidizer-to-fuel ratios, the tri-coaxial injector design is shown to enhance mixing and combustion progress, reducing characteristic mixing length scales and achieving improved combustion performance relative to more conventional bi-coaxial designs. Despite enhanced mixing, the tri-coaxial design exhibits more limited reduction in flame standoff distance from the injector face, suggesting that increased heat flux to the injector face can be managed. The tri-coaxial injector highlights the potential to leverage additive manufacturing to enhance performance and simplify the fabrication of liquid-propellant rocket engines.

Evaluation of hydrogen production via steam reforming and partial oxidation of dimethyl ether using response surface methodology and artificial neural network

This study aims to develop two models for thermodynamic data on hydrogen generation from the combined processes of dimethyl ether steam reforming and partial oxidation, applying artificial neural networks (ANN) and response surface methodology (RSM). Three factors are recognized as important determinants for the hydrogen and carbon monoxide mole fractions. The RSM used the quadratic model to formulate two correlations for the outcomes. The ANN modeling used two algorithms, namely multilayer perceptron (MLP) and radial basis function (RBF). The optimum configuration for the MLP, employing the Levenberg–Marquardt (trainlm) algorithm, consisted of three hidden layers with 15, 10, and 5 neurons, respectively. The ideal RBF configuration contained a total of 80 neurons. The optimum configuration of ANN achieved the best mean squared error (MSE) performance of 3.95e−05 for the hydrogen mole fraction and 4.88e−05 for the carbon monoxide mole fraction after nine epochs. Each of the ANN and RSM models produced accurate predictions of the actual data. The prediction performance of the ANN model was 0.9994, which is higher than the RSM model's 0.9771. The optimal condition was obtained at O/C of 0.4, S/C of 2.5, and temperature of 250 °C to achieve the highest H2 production with the lowest CO emission.

Emission Characteristics of Greenhouse Gases and Air Pollutants in Northern Hemisphere Cities: Comprehensive Assessment Using Ground‐Based Fourier Transform Spectrometers

AbstractDespite the importance of understanding the urban emission characteristics of greenhouse gases (GHGs) and air pollutants, few studies have conducted integrated assessments across diverse urban environments. Herein, we conducted a comprehensive evaluation of the emission characteristics of GHGs and air pollutants in seven cities in the Northern Hemisphere using ground‐based Fourier transform spectrometers. Our analysis primarily focused on emission ratios of excess column‐averaged dry‐air mole fractions of carbon monoxide (CO) to carbon dioxide (CO2) (∆XCO:∆XCO2) and those of methane (CH4) to CO2 (∆XCH4:∆XCO2). We found that the emission ratios varied significantly across cities. Xianghe (China) and Pasadena (USA), known for severe air pollution, showed the highest emission ratios. Notably, Seoul (South Korea) showed lower ∆XCO:∆XCO2 (3.32 ± 0.10 ppb/ppm) but relatively higher ∆XCH4:∆XCO2 (4.85 ± 0.04 ppb/ppm), which was comparable to the ∆XCH4:∆XCO2 value of Xianghe (5.15 ± 0.10 ppb/ppm), suggesting that targeted CH4 reduction strategies may be required for climate change mitigation in Seoul.

Multiparameter Detection of Summer Open Fire Emissions: The Case Study of GAW Regional Observatory of Lamezia Terme (Southern Italy)

In Southern Mediterranean regions, the issue of summer fires related to agriculture practices is a periodic recurrence. It implies a significant increase in carbon dioxide (CO2) emissions and other combustion-related gaseous and particles compounds emitted into the atmosphere with potential impacts on air quality and global climate. In this work, we performed an analysis of summer fire events that occurred on August 2021. Measurements were carried out at the permanent World Meteorological Organization (WMO)/Global Atmosphere Watch (GAW) station of Lamezia Terme (Code: LMT) in Calabria, Southern Italy. The observatory is equipped with greenhouse gases and black carbon analyzers, an atmospheric particulate impactor system, and a meteo-station for atmospheric parameters to characterize atmospheric mechanisms and transport for land and sea breezes occurrences. High mole fractions of carbon monoxide (CO) and carbon dioxide (CO2) coming from quadrants of inland areas were correlated with fire counts detected via the MODIS satellite (GFED-Global Fire Emissions Database) at 1 km of spatial resolution. In comparison with the typical summer values, higher CO and CO2 were observed in August 2021. Furthermore, the growth in CO concentration values in the tropospheric column was also highlighted by the analyses of the L2 products of the Copernicus SP5 satellite. Wind fields were reconstructed via a Weather Research and Forecasting (WRF) output, the latter suggesting a possible contribution from open fire events observed at the inland region near the observatory. So far, there have been no documented estimates of the effect of prescribed burning on carbon emissions in this region. This study suggested that data collected at the LMT station can be useful in recognizing and consequently quantifying emission sources related to open fires.

Shear Coaxial Methane–Oxygen Injector Mixing and Combustion Examined by Laser Absorption Tomography

Mixing length scales for methane–oxygen shear-coaxial single-element rocket injectors were experimentally assessed using laser absorption tomography. The laser spectroscopy technique enables quantitative and spatially resolved measurements of carbon monoxide (CO) and temperature within the near-field region, probing rovibrational absorption lines of CO near 5 μm. Multiple injector designs were examined with differing oxidizer post recess depths to compare mixing characteristics. All tests were performed at an oxidizer-to-fuel ratio of 3 with a total propellant flow rate of 0.350 g/s. Planar measurements were taken at 16 axial positions, which collectively captured the first 57 mm of each flame. A tomographic inversion method was applied to obtain radially resolved distributions of temperature and CO mole fraction for each axial position, from which two-dimensional images of the thermochemical structure were generated. Characteristic mixing parameters are defined and extracted from features within the species and temperature profiles to visualize the spatial evolution of CO production. Increasing oxidizer post recess improved mixing due to enhanced shear-induced turbulence and associated radial diffusion of species and temperature; however, the enhancement was nonlinear. This work establishes the first use of laser absorption tomography to directly measure mixing length scales associated with temperature and species profiles in coaxial flames.

Evidence for multi-decadal fuel buildup in a large California wildfire from smoke radiocarbon measurements

In recent decades, there has been a significant increase in annual area burned in California’s Sierra Nevada mountains. This rise in fire activity has prompted the need to understand how historical forest management practices affect fuel composition and emissions. Here we examined the total carbon (TC) concentration and radiocarbon abundance (Δ14C) of particulate matter (PM) emitted by the KNP Complex Fire, which occurred during California’s 2021 wildfire season and affected several groves of giant sequoia trees in the southern Sierra Nevada. During a 26 h sampling period, we measured concentrations of fine airborne PM (PM2.5), as well as dry air mole fractions of carbon monoxide (CO) and methane (CH4), using a ground-based mobile laboratory. We also collected filter samples of PM2.5 for analysis of TC concentration and Δ14C. High correlation among PM2.5, CO, and CH4 time series confirmed that our PM2.5 measurements captured variability in wildfire emissions. Using a Keeling plot approach, we determined that the mean Δ14C of PM2.5 was 111.6 ± 7.7‰ (n = 12), which was considerably enriched relative to atmospheric carbon dioxide in the northern hemisphere in 2021 (−3.2 ± 1.4‰). Combining these Δ14C data with a steady-state one-box ecosystem model, we estimated that the mean age of fuels combusted in the KNP Complex Fire was 40 years, with a range of 29–57 years. These results provide evidence for emissions originating from woody biomass, larger-diameter fine fuels, and coarse woody debris that have accumulated over multiple decades. This is consistent with independent field observations that indicate high fire intensity contributed to widespread giant sequoia mortality. With the expanded use of prescribed fires planned over the next decade in California to mitigate wildfire impacts, our measurement approach has the potential to provide regionally-integrated estimates of the effectiveness of fuel treatment programs.

A Mid-Infrared Laser Absorption Sensor for Gas Temperature and Carbon Monoxide Mole Fraction Measurements at 15 kHz in Engine-Out Gasoline Vehicle Exhaust

<div>Quantifying exhaust gas composition and temperature in vehicles with internal combustion engines (ICEs) is crucial to understanding and reducing emissions during transient engine operation. This is particularly important before the catalytic converter system lights off (i.e., during cold start). Most commercially available gas analyzers and temperature sensors are far too slow to measure these quantities on the timescale of individual cylinder-firing events, thus faster sensors are needed. A two-color mid-infrared (MIR) laser absorption spectroscopy (LAS) sensor for gas temperature and carbon monoxide (CO) mole fraction was developed and applied to address this technology gap. Two quantum cascade lasers (QCLs) were fiber coupled into one single-mode fiber to facilitate optical access in the test vehicle exhaust. The QCLs were time-multiplexed in order to scan across two CO absorption transitions near 2013 and 2060 cm<sup>–1</sup> at 15 kHz. This enabled in situ measurements of temperature and CO mole fraction to be acquired at 15 kHz in the engine-out exhaust of a research vehicle (modified production vehicle) with an 8-cylinder gasoline ICE. Three different vehicle tests were characterized with the LAS sensor as follows: (1) cold start with engine idle, (2) warm start with a drive cycle on a chassis dynamometer, and (3) hot start with a drive cycle on a chassis dynamometer. The measurements obtained from the LAS sensor had a time resolution that was three orders of magnitude faster than that of thermocouple and gas analyzer data acquired at the Ford vehicle emissions research laboratory (VERL) in Dearborn, Michigan. This enabled the LAS sensor to resolve high-speed engine dynamics and exhaust gas transients, which the conventional instrumentation could not, thereby providing valuable insight into the evolution of ICE emissions during transient engine operation.</div>

Experimental and chemical kinetic modeling study of high-temperature oxidation of diisopropyl methylphosphonate (DIMP) - A sarin simulant

Chemical warfare (CW) agent simulants are used in laboratory experiments to study the combustion characteristics of CW agents due to their high toxicity. A crucial CW agent simulant with a chemical structure similar to the deadly nerve agent Sarin (GB) is diisopropyl methylphosphonate (DIMP), an organophosphate compound (OPC). In this study, the high-temperature oxidation of DIMP is investigated in a shock tube at temperatures between 1440 K and 1710 K and a pressure of 1–2 atm. The carbon monoxide mole fraction time histories near 4.9 µm were obtained using laser absorption spectroscopy. The rate parameters for DIMP's H-abstraction reactions with O, and OH radicals were determined using molecular simulations. The rates of reactions involving smaller phosphorous species were also calculated at the CBS-QB3 level. These reactions along with the isopropanol sub-mechanism from the literature were added to the LLNL model to obtain an improved chemical kinetic mechanism for DIMP. Since isopropanol was a major intermediate in DIMP decomposition, validations were conducted with CO time histories during the oxidation of isopropanol. The new model predicted CO during isopropanol oxidation reasonably well. Both the LLNL model and the model developed in this work could predict CO time histories during DIMP oxidation satisfactorily. To comprehend the CO formation pathways and sensitive reactions during DIMP oxidation, reaction path analysis and sensitivity analysis were also carried out. The reaction mechanism developed here will help in the design, development, and optimization of efficient, effective and secure CW destruction techniques.

Inferring the vertical distribution of CO and CO2 from TCCON total column values using the TARDISS algorithm

Abstract. We describe an approach for determining limited information about the vertical distribution of carbon monoxide (CO) and carbon dioxide (CO2) from total column ground-based Total Carbon Column Observation Network (TCCON) observations. For CO and CO2, it has been difficult to retrieve information about their vertical distribution from spectral line shapes because of the errors in the spectroscopy and the atmospheric temperature profile that mask the effects of variations in their mixing ratio with altitude. For CO2 the challenge is especially difficult given that these variations are typically 2 % or less. Nevertheless, if sufficient accuracy can be obtained, such information would be highly valuable for evaluation of retrievals from satellites and more generally for improving the estimate of surface sources and sinks of these trace gases. We present here the Temporal Atmospheric Retrieval Determining Information from Secondary Scaling (TARDISS) retrieval algorithm. TARDISS uses several simultaneously obtained total column observations of the same gas from different absorption bands with distinctly different vertical averaging kernels. The different total column retrievals are combined in TARDISS using a Bayesian approach where the weights and temporal covariance applied to the different retrievals include additional constraints on the diurnal variation in the vertical distribution for these gases. We assume that the near-surface part of the column varies rapidly over the course of a day (from surface sources and sinks, for example) and that the upper part of the column has a larger temporal covariance over the course of a day. Using measurements from the five North American TCCON sites, we find that the retrieved lower partial column (between the surface and ∼ 800 hPa) of the CO and CO2 dry mole fractions (DMFs) have slopes of 0.999 ± 0.002 and 1.001 ± 0.003 with respect to lower column DMF from integrated in situ data measured directly from aircraft and in AirCores. The average error for our lower column CO retrieval is 1.51 ppb (∼ 2 %) while the average error for our CO2 retrieval is 5.09 ppm (∼ 1.25 %). Compared with classical line-shape-derived vertical profile retrievals, our algorithm reduces the influence of forward model errors such as imprecision in spectroscopy (line shapes and intensities) and in the instrument line shape. In addition, because TARDISS uses the existing retrieved column abundances from TCCON (which themselves are computationally much less intensive than profile retrieval algorithms), it is very fast and processes years of data in minutes. We anticipate that this approach will find broad application for use in carbon cycle science.

Multiobjective Bayesian Optimization Framework for the Synthesis of Methanol from Syngas Using Interpretable Gaussian Process Models.

Methanol production has gained considerable interest on the laboratory and industrial scale as it is a renewable fuel and an excellent hydrogen energy storehouse. The formation of synthesis gas (CO/H2) and the conversion of synthesis gas to methanol are the two basic catalytic processes used in methanol production. Machine learning (ML) approaches have recently emerged as powerful tools in reaction informatics. Inspired by these, we employ Gaussian process regression (GPR) to the model conversion of carbon monoxide (CO) and selectivity of the methanol product using data sets obtained from experimental investigations to capture uncertainty in prediction values. The results indicate that the proposed GPR model can accurately predict CO conversion and methanol selectivity as compared to other ML models. Further, the factors that influence the predictions are identified from the best GPR model employing "Shapley Additive exPlanations" (SHAP). After interpretation, the essential input features are found to be the inlet mole fraction of CO (Y(CO, in)) and the net inlet flow rate (Fin(nL/min)) for our best prediction GPR models, irrespective of our data sets. These interpretable models are employed for Bayesian optimization in a weighted multiobjective framework to obtain the optimal operating points, namely, maximization of both selectivity and conversion.

Methyl methacrylate thermal decomposition: Modeling and laser spectroscopy of species time-histories behind reflected shock waves

The thermal decomposition of methyl methacrylate (MMA) was studied through species time-history measurements of formaldehyde (CH2O), carbon monoxide (CO), and carbon dioxide (CO2) behind reflected shock waves over a temperature range of 1200–1600 K near 1 atm. Tunable laser absorption spectroscopy was employed to spectrally and temporally-resolve a cluster of rovibrational lines in the Q-branches of the v1 fundamental band and the v2+v4 combination band of CH2O near 3.60μm, three rovibrational transitions in the P-branch of the fundamental band of CO near 4.98μm, and a transition in the R-branch of the (0100→0101) v3 band of CO2 near 4.19μm. Spectral fitting procedures are subsequently used to infer CO, CO2, and CH2O mole fraction during the pyrolysis of shock-heated mixtures of MMA in argon. These data provided valuable experimental constraints on MMA pyrolysis chemical kinetic models. Sensitivity analysis of a detailed chemical model for MMA decomposition identified specific reactions likely to account for differences observed between the species measurements and simulations of the test conditions. Modified reaction rate parameters for select MMA decomposition reactions are proposed, determined via a genetic algorithm optimization procedure anchored to the speciation data.

Experimental assessment of producer gas generation using agricultural and forestry residues in a fixed bed downdraft gasifier

The gasification of biomass waste integrated with thermal usage and power generation is a sustainable approach to generate energy. Present work focuses on operational assessment of an open-top downdraft gasifier at different flow rates of 10.5 and 12.5 g/s using corn cob and eucalyptus wood waste as feedstocks. Gasification characteristics (performance and syngas parameters), morphological characteristics (X-ray Diffraction, Fourier Transform Infrared Spectroscopy, Scanning Electron Microscopy), and thermogravimetric analysis are performed and analysed. The results indicate that values of the lowest hydrogen and carbon monoxide mole fractions, for corncob are 10.81 and 10.11 at the equivalence ratio (ER) of 0.278 and moisture content of 10%. Whereas the highest mole fraction of hydrogen and carbon monoxide for eucalyptus in the producer gas are 14.1 and 12.58 at ER of 0.125 and moisture of 15%. The syngas obtained from eucalyptus wood waste was better in terms of hydrogen content as compared to that from corn cob feedstock as the future vies greater role for hydrogen based fuels.

High-temperature pyrolysis experiments and chemical kinetics of diisopropyl methylphosphonate (DIMP), a simulant for Sarin

Due to the high toxicity of chemical warfare (CW) agents, laboratory experiments are carried out using CW surrogates. Diisopropyl Methylphosphonate (DIMP), an organophosphate compound (OPC), is a crucial CW surrogate that has a chemical structure similar to the deadly nerve agent Sarin (GB). In this work, high-temperature pyrolysis of DIMP is conducted in a shock tube within a temperature range of 1400 - 1800 K at near 1 atm pressure. Laser absorption spectroscopy was used to obtain carbon monoxide mole fraction time-histories during high-temperature pyrolysis for DIMP. In order to predict the CO mole fraction time-histories during DIMP pyrolysis, a reaction mechanism was developed using the Lawrence Livermore National Lab (LLNL)’s OPC mechanism. Several important reactions of DIMP and its important intermediates during pyrolysis were studied at the CBS-QB3 level of theory, and corresponding reaction rates were determined using transition state theory. The reactions related to methyl phosphonic acid (MPA) and methyl(oxo)phosphoniumolate (MOPO) were added from literature and by analogies with similar compounds. Thermochemical properties of crucial species involved in DIMP pyrolysis were calculated using the CBS-QB3 composite method and were updated in the model. A reaction mechanism was compiled for DIMP pyrolysis using these rates. Two versions of this mechanism (‘Model A’ and ‘Model B’) were generated to understand the significance of new reactions in predicting CO mole fraction time histories. Significant improvement in the prediction of CO was observed compared to the LLNL model with either of these mechanisms. A reaction path analysis was conducted to understand the formation pathways of CO during DIMP pyrolysis. Finally, sensitivity analysis was performed to get insights into important reactions leading to CO formation. It was found that the H-abstraction from MOPO by methyl radical plays an important role in CO formation.

Analysis of source distribution of high carbon monoxide events using airborne and surface observations in Korea

Carbon monoxide (CO) is a key tracer of anthropogenic pollution, and it indirectly affects climate change. Anmyeon-do (AMY, 36.54° N, 126.33° E), a World Meteorological Organization/Global Atmosphere Watch Program (WMO/GAW) regional background station in Korea, provides continuous observations of CO mole fractions at the surface and vertical profiles within 0.5–9 km that are also collected by aircraft campaigns. The vertical profiles collected in 2019 were analyzed using meteorological parameters such as vertical velocity and boundary layer height (BLH), and a strong relationship was observed among them; however, the vertical distribution, which was influenced by unexpected strong pollution plumes, did not exhibit a strong relationship with vertical velocity and BLH. On November 16, we captured a strong CO signal within the boundary layer and at approximately 2 km above the BLH, where vertical profiles of the aerosol scattering coefficient at 550 nm were simultaneously observed with the same vertical structure. To identify the origins and source types of the stratification of the pollution plume for CO and aerosol, we also analyzed surface in situ observations of particle size distributions and reactive gases (NOx, O3, and SO2) as well as the column averaged dry-air mole fraction of carbon monoxide (XCO) and measurements of aerosol optical depth obtained from the tropospheric monitoring instrument (TROPOMI) and moderate resolution imaging spectroradiometer (MODIS) satellite, respectively. The high CO event within the BLH, including observations at the surface site, was attributed to domestic burning sources. Convective uplifting of industrial fossil fuel emissions from eastern China was responsible for the high CO dry mole fraction in the low free troposphere (FT) and the elevated aerosol scattering coefficient. Statistical analyses of one-year surface in situ observations of CO reveal that CO-emission sources from eastern China contributed to extremely high CO spikes (≥80th percentile of CO or ≥ 350 ppb, approximately) in 2019. Therefore, we concluded that emissions from eastern China have a potentially leading role in the observed high pollution events at the surface and the lower FT over the AMY station in 2019. The increase in ground temperature, with the acceleration of the global warming process, can intensify the convective uplifting of pollution plumes from emission source regions to FT over East Asian regions. In addition, such an occurrence of the stratification of the atmospheric pollution plume in the troposphere should be considered in future studies on radiative forcing to improve air-quality forecasting in this region.

Improved model of lattice gas in the adsorption of carbon monoxide and oxygen

The adsorption and subsequent oxidation of carbon monoxide (CO) on a platinum (Pt) surface has been studied using computational methods. The Monte Carlo method is used to this end through the lattice model. This study focuses on the improvement of this first theoretical model (ZGB) proposed for the oxidation of CO. In this work, four different models are revised in detail with the objective of establishing a comparison between the obtained results on the oxidation of CO on the Pt with an orientation (111) surface. The variance between the models lies on the nature of the sticking coefficient of the CO and oxygen (O2) molecules on Pt (111). This adsorption depends on the initial concentration of CO in the gas phase and the number of vacant sites on the platinum surface. The results obtained in these simulations show that the first model, the ZGB model, differs considerably from the other models, and thus the results with the second and third model have a better adjustment to the adsorption of the CO and O2 molecules, since they take into account the gas concentration, the sticking coefficient and the interaction with the neighboring particles. In this sense, the oxidation reaction occurs in a wider theoretical range around 0.5 mole fraction of CO and 0.2 mole fraction of O atomic, and the poisoning of the platinum catalytic surface can be inhibited if the concentration of carbon monoxide is included as a control parameter.

Variations of atmospheric CO concentration from 2004 to 2019 at the Mt. Waliguan station in China

Carbon monoxide (CO) is an important indirect greenhouse gas and has been measuring by many sites around the world. In this study, a 14-years (2004–2007 as well as 2010–2019) observed atmospheric CO record at the Mount. Waliguan (WLG), the only global station of the World Meteorological Organization (WMO) and Global Atmosphere Watch (GAW) in Eurasia, was presented. The characteristics of atmospheric CO including daily and seasonal cycles, long-term trends, and spatiotemporal source distributions in different episode were compared and analyzed. Our results show that there was an increasing trend for atmospheric CO with the highest annual average of 129.7 ± 0.2 (σ = 4.6) ppb in 2007 in earlier years but a decreasing trend in later years with an annual average of 110.7 ± 0.2 (σ = 5.3) ppb in 2019. The characteristics of atmospheric CO at the site was dominated by regional economy development strategy such as the China's western development strategy, carbon emission reduction strategy in China's economic development plan. After the infrastructure construction period from 2004 to 2007, the regional emissions of CO at the Qinghai and Gansu provinces stimulated the atmospheric CO at the WLG and changed the patterns of seasonal variation, source regions as well as the long-term trends. A weak decreasing trend with value of −0.47 (σ = 0.01) ppb yr−1 was observed during the observation period, which was less than most of the stations in China. On the whole, we concluded that the CO mole fractions observed at the Mt. Waliguan station might only denote the conditions in regional scale instead of the well mixed condition in Eurasia.

Versatile and Targeted Validation of Space-Borne XCO2, XCH4 and XCO Observations by Mobile Ground-Based Direct-Sun Spectrometers

Satellite measurements of the atmospheric concentrations of carbon dioxide (CO2), methane (CH4) and carbon monoxide (CO) require careful validation. In particular for the greenhouse gases CO2 and CH4, concentration gradients are minute challenging the ultimate goal to quantify and monitor anthropogenic emissions and natural surface-atmosphere fluxes. The upcoming European Copernicus Carbon Monitoring mission (CO2M) will focus on anthropogenic CO2 emissions, but it will also be able to measure CH4. There are other missions such as the Sentinel-5 Precursor and the Sentinel-5 series that target CO which helps attribute the CO2 and CH4 variations to specific processes. Here, we review the capabilities and use cases of a mobile ground-based sun-viewing spectrometer of the type EM27/SUN. We showcase the performance of the mobile system for measuring the column-average dry-air mole fractions of CO2 (XCO2), CH4 (XCH4) and CO (XCO) during a recent deployment (Feb./Mar. 2021) in the vicinity of Japan on research vessel Mirai which adds to our previous campaigns on ships and road vehicles. The mobile EM27/SUN has the potential to contribute to the validation of 1) continental-scale background gradients along major ship routes on the open ocean, 2) regional-scale gradients due to continental outflow across the coast line, 3) urban or other localized emissions as mobile part of a regional network and 4) emissions from point sources. Thus, operationalizing the mobile EM27/SUN along these use cases can be a valuable asset to the validation activities for CO2M, in particular, and for various upcoming satellite missions in general.

The Use of the k-ω SST Turbulence Model for Mathematical Modeling of Jet Fire

Aim: The purpose of this study is to verify the usability of the k-ω SST turbulence model for the description of the combustion process during a vertical propane jet fire. Simulating a jet fire using computational fluid mechanics involves an appropriate selection of a mathematical model to describe the turbulent flow. It is important as the variables from this model also describe the rate of the combustion reaction. As a result, they have an impact on the size and shape of the flame. The selection of an appropriate model should be preceded by preliminary simulations. Project and methods: For this purpose, a vertical jet fire in no wind conditions was selected for simulation. Consequently, it was possible to develop a two-dimensional axisymmetric geometry. A good numerical mesh can be applied to such axisymmetric geometry. Selected process conditions allowed to create an axisymmetric numerical grid. Its values, proving the quality, are shown in a chart demonstrating the distribution of the parameter quality depending on the number of elements from which the numerical grid was built. In the work, a two-stage model of the combustion reaction was selected in order to verify whether the area in which the mole fraction of carbon monoxide will have significant values is so large that the selected kinetic reaction model will have an impact on the flame length. Results: Three simulations of jet fire taking place in the direction opposite to the force of gravity were performed. The simulations performed allowed for setting the basic L f parameter, which determines the flame length. Additionally, the length of the mixing path slift-off, needed to initiate the combustion reaction, was determined. The simulations performed allowed for comparing significant parameters characterizing the flame with the parameters calcu- lated using correlations included in the literature on the subject. Due to this comparison, it was possible to define an interesting scope of research work, because the length of the gas mixing path determined from the CFD simulation differed significantly from the values calculated from the correlation. Conclusions: Interestingly, such large differences between CFD results and correlations were not observed for the L f parameter. The correlations based on the Froude number give slightly higher values of the flame length than the results of the CFD simulation. On the other hand, the correlation based on the Reynolds number gives slightly lower values of the L f parameter than the values obtained from the CFD calculations. This may indicate that the effects related to the inertia forces (Re number) better describe the simulation process conditions than the correlations based on the influence of inertia forces and gravity forces (Fr number). Keywords: jet fire, mathematical modelling, computational fluid dynamics Type of article: short scientific report

Validation of methane and carbon monoxide from Sentinel-5 Precursor using TCCON and NDACC-IRWG stations

Abstract. The Sentinel-5 Precursor (S5P) mission with the TROPOspheric Monitoring Instrument (TROPOMI) on board has been measuring solar radiation backscattered by the Earth's atmosphere and surface since its launch on 13 October 2017. In this paper, we present for the first time the S5P operational methane (CH4) and carbon monoxide (CO) products' validation results covering a period of about 3 years using global Total Carbon Column Observing Network (TCCON) and Infrared Working Group of the Network for the Detection of Atmospheric Composition Change (NDACC-IRWG) network data, accounting for a priori alignment and smoothing uncertainties in the validation, and testing the sensitivity of validation results towards the application of advanced co-location criteria. We found that the S5P standard and bias-corrected CH4 data over land surface for the recommended quality filtering fulfil the mission requirements. The systematic difference of the bias-corrected total column-averaged dry air mole fraction of methane (XCH4) data with respect to TCCON data is -0.26±0.56 % in comparison to -0.68±0.74 % for the standard XCH4 data, with a correlation of 0.6 for most stations. The bias shows a seasonal dependence. We found that the S5P CO data over all surfaces for the recommended quality filtering generally fulfil the missions requirements, with a few exceptions, which are mostly due to co-location mismatches and limited availability of data. The systematic difference between the S5P total column-averaged dry air mole fraction of carbon monoxide (XCO) and the TCCON data is on average 9.22±3.45 % (standard TCCON XCO) and 2.45±3.38 % (unscaled TCCON XCO). We found that the systematic difference between the S5P CO column and NDACC CO column (excluding two outlier stations) is on average 6.5±3.54 %. We found a correlation of above 0.9 for most TCCON and NDACC stations. The study shows the high quality of S5P CH4 and CO data by validating the products against reference global TCCON and NDACC stations covering a wide range of latitudinal bands, atmospheric conditions and surface conditions.

Multiphysics Design of Pet-Coke Burner and Hydrogen Production by Applying Methane Steam Reforming System

Pet-coke (petroleum coke) is identified as a carbon-rich and black-colored solid. Despite the environmental risks posed by the exploitation of pet-coke, it is mostly applied as a boiling and combusting fuel in power generation, and cement production plants. It is considered as a promising replacement for coal power plants because of its higher heating value, carbon content, and low ash. A computational fluid dynamics (CFD) computational model of methane steam reforming was developed in this research. The hydrogen production system is composed from a pet-coke burner and a catalyst bed reactor. The heat released, produced by the pet-coke combustion, was utilized for convective and radiative heating of the catalyst bed for maintaining the steam reforming reaction of methane into hydrogen and carbon monoxide. This computational algorithm is composed of three steps—simulation of pet-coke combustion by using fire dynamics simulator (FDS) software coupled with thermal structural analysis of the burner lining and a multiphysics computation of the methane steam reforming (MSR) process taking place inside the catalyst bed. The structural analysis of the burner lining was carried out by coupling the solutions of heat conduction equation, Darcy porous media steam flow equation, and structural mechanics equation. In order to validate the gaseous temperature and carbon monoxide mole fraction obtained by FDS calculation, a comparison was carried out with the literature results. The maximal temperature obtained from the combustion simulation was about 1440 °C. The calculated temperature is similar to the temperature reported, which is also close to 1400 °C. The maximal carbon dioxide mole fraction reading was 15.0%. COMSOL multi-physics software solves simultaneously the catalyst media fluid flow, heat, and mass with chemical reaction kinetics transport equations of the methane steam reforming catalyst bed reactor. The methane conversion is about 27%. The steam and the methane decay along the catalyst bed reactor at the same slope. Similar values have been reported in the literature for MSR temperature of 510 °C. The hydrogen mass fraction was increased by 98.4%.