Fuels, Volume 2, Issue 3 (September 2021) – 7 articles

Soot is characterized by a multiscale structural organization; the only diagnostic tool that can give access to it is the transmission electron microscope (TEM). However, as it is a diffraction-based technique, TEM images only conjugate aromatic systems and, thus, it is particularly useful to combine it with electron energy-loss spectroscopy (EELS), which is able to provide quantitative information about the relative abundance of sp³ and sp² hybridized carbon. In this paper, a method for the EELS spectrum analysis of carbonaceous materials, recently developed for electron-irradiated graphite and glassy carbon composition analysis, has been applied for the first time on soot samples, in order to test its performance in soot nanostructure study in combination with TEM and high-resolution TEM (HRTEM). Soot samples analyzed were collected in the soot inception region of premixed flames of different hydrocarbon fuels. EELS, in agreement with TEM and HRTEM, showed a quite disordered and heterogeneous structure for young soot, with a relatively low sp² content and slight presence of fullerene-like structures, more evident in the case of methane soot hinting to the effect of more saturated aliphatic fuels on soot characteristics at soot inception. Full article

This study assessed the environmental impacts and economic feasibility of generating heat using wood-briquettes (WBs), and heat and electricity using torrefied-wood-briquettes (TWBs). WBs and TWBs were manufactured from forest residues using portable systems and delivered to either residential consumers or power plants in the United States. An integrated cradle-to-grave life-cycle assessment (LCA) and techno-economic analysis (TEA) approach was used to quantify environmental impacts and minimum-selling prices (MSPs) of heat and electricity, respectively. Results illustrated that 82% and 59% of the cradle-to-grave global warming (GW) impact of producing heat resulted from the feedstock preparation in WBs and torrefaction in TWBs, respectively. About 46–54% of total cost in the production of heat were from labor and capital costs only. The GW impact of electricity production with TWBs was dominated by the torrefaction process (48% contribution). Capital cost (50%) was a major contributor to the total cost of electricity production using TWBs. The GW impacts of producing heat were 7–37 gCO₂eq/MJ for WBs, and 14–51 gCO₂eq/MJ for TWBs, whereas producing electricity using TWBs was 146–443 gCO₂eq/kWhe. MSPs of generating heat from WBs and TWBs were €1.09–€1.73 and €1.60–€2.26/MJ, respectively, whereas the MSP of electricity from TWBs was €20–€25/kWhe. Considering carbon and pile-burn credits, MSPs of heat and electricity were reduced by 60–90% compared to the base-case. Full article

Development and validation of a new reduced dimethyl ether-air (DME) reaction mechanism is presented. The mechanism was developed using a modular approach that has previously been applied to several alkane and alkene fuels, and the present work pioneers the use of the modular methodology, with its underlying H/C₁/O base mechanism, on an oxygenated fuel. The development methodology uses a well-characterized H/C₁/O base mechanism coupled to a reduced set of fuel and intermediate product submechanisms. The mechanism for DME presented in this work includes 30 species and 69 irreversible reactions. When used in combustion simulation the mechanism accurately reproduced key combustion characteristics and the small size enables use in computationally demanding Large Eddy Simulations (LES) and Direct Numerical Simulations (DNS). It has been developed to accurately predict, among other parameters, laminar burning velocity and ignition delay times, including the negative temperature regime. The evaluation of the mechanism and comparison to experimental data and several detailed and reduced mechanisms covers a wide range of conditions with respect to temperature, pressure and fuel-to-air ratio. There is good agreement with experimental data and the detailed reference mechanisms at all investigated conditions. The mechanism uses fewer reactions than any previously presented DME-air mechanism, without losing in predictability. Full article

One highly undesirable characteristic of mature assets that inhibits oil recovery is high water production. Polymer gel treatment is a popular conformance improvement technique applied in this regard due to its cost effectiveness and proved efficiency. Despite this popularity, optimum performance of polymer hydrogels in water shut off is inhibited by excessive aggregation, difficulty in controlling gelation, and their instability at high temperature and high salinity reservoir conditions. To address these shortcomings, research on the application of nanoparticles (NPs) in polymer hydrogels to manage thermal stability and salinity sensitivity has significantly increased in the recent past. By incorporating metal-based NPs, silica or graphene at nanoscale; the gel strength, storage modulus, salinity tolerance and thermal stability of commonly used polymers have been greatly enhanced. In this paper, the advances in experimental studies on polymer-based nanocomposites are discussed and field experiences from adoption of polymer composites reviewed. Full article

The success of machine learning (ML) techniques implemented in different industries heavily rely on operator expertise and domain knowledge, which is used in manually choosing an algorithm and setting up the specific algorithm parameters for a problem. Due to the manual nature of model selection and parameter tuning, it is impossible to quantify or evaluate the quality of this manual process, which in turn limits the ability to perform comparison studies between different algorithms. In this study, we propose a new hybrid approach for developing machine learning workflows to help automated algorithm selection and hyperparameter optimization. The proposed approach provides a robust, reproducible, and unbiased workflow that can be quantified and validated using different scoring metrics. We have used the most common workflows implemented in the application of artificial intelligence (AI) and ML in engineering problems including grid/random search, Bayesian search and optimization, genetic programming, and compared that with our new hybrid approach that includes the integration of Tree-based Pipeline Optimization Tool (TPOT) and Bayesian optimization. The performance of each workflow is quantified using different scoring metrics such as Pearson correlation (i.e., R² correlation) and Mean Square Error (i.e., MSE). For this purpose, actual field data obtained from 1567 gas wells in Marcellus Shale, with 121 features from reservoir, drilling, completion, stimulation, and operation is tested using different proposed workflows. A proposed new hybrid workflow is then used to evaluate the type well used for evaluation of Marcellus shale gas production. In conclusion, our automated hybrid approach showed significant improvement in comparison to other proposed workflows using both scoring matrices. The new hybrid approach provides a practical tool that supports the automated model and hyperparameter selection, which is tested using real field data that can be implemented in solving different engineering problems using artificial intelligence and machine learning. The new hybrid model is tested in a real field and compared with conventional type wells developed by field engineers. It is found that the type well of the field is very close to P50 predictions of the field, which shows great success in the completion design of the field performed by field engineers. It also shows that the field average production could have been improved by 8% if shorter cluster spacing and higher proppant loading per cluster were used during the frac jobs. Full article

A process simulation model was created using Aspen Plus to investigate the hydrodeoxygenation of 4-propylguaiacol, a model component in lignin-derived pyrolysis oil, over a presulphided NiMo/Al₂O₃ solid catalyst. Process simulation modelling methods were used to develop the pseudo-homogeneous packed bed microreactor. The reaction was conducted at 400 °C and an operating pressure of 300 psig with a 4-propylguaiacol liquid flow rate of 0.03 mL·min⁻¹ and a hydrogen gas flow rate of 0.09 mL·min⁻¹. Various operational parameters were investigated and compared to the experimental results in order to establish their effect on the conversion of 4-propylguaiacol. The parameters studied included reaction temperature, pressure, and residence time. Further changes to the simulation were made to study additional effects. In doing so, the operation of the same reactor was studied adiabatically, rather than isothermally. Moreover, different equations of state were used. It was observed that the conversion was enhanced with increasing temperature, pressure, and residence time. The results obtained demonstrated a good model validation when compared to the experimental results, thereby confirming that the model is suitable to predict the hydrodeoxygenation of pyrolysis oil. Full article

Using carbon free energy sources is one of the keys to mitigate climate change. Hydrogen promises to be one of these carbon free energies, but its storage is difficult and expensive. Ammonia, however, is interesting as it can store hydrogen safely and can be used in combustion engines instead of hydrocarbon fuels. In this experimental work, the spray characteristics of ammonia under different air densities and temperatures were investigated in constant volume and were compared to a biofuel, ethanol, and a common fuel, gasoline. The Schlieren technique was used to capture images of liquid and liquid + vapor spray. The penetration length, the angle near the injector and the angle at half-penetration length were measured. The results show that the spray geometry of ammonia differs from that of the other fuels and that its sensitivity to air density and temperature is greater. The flash boiling condition at ambient temperature was explored for ammonia and indicated a wider spray at half-penetration length at phase change. Moreover, a semi-empirical correlation for penetration length as a function of physical parameters was found with a high accuracy for the global spray. These experimental data provide the first information about ammonia injection with a current spark-ignition GDI injector. Full article