Prediction of some physicochemical properties in Colombian crude oils upgraded by catalytic aquathermolysis using UV-VIS spectroscopy associated with chemometric methods.

The simulated distillation curve (ASTM/D-7169) is a quantitative method to determine fractions of crude oils by boiling point temperature ranges (36-720 °C). In this work, 45 samples of typical Colombian crudes were selected, and the samples were produced under conventional process. Also 8 upgraded crude oils under catalytic aquathermolysis conditions at laboratory scale were added. The tests were developed at 270 °C and 800psi (@25 °C) during 66 h of reaction. In addition, 30 samples were selected for density tests, according to the pycnometer method. Subsequently, the crude oil samples under study were diluted in chloroform and analyzed by UV-VIS Spectroscopy. The UV-VIS spectra were correlated with selected properties by using PCA-MLR and PLS models. The distillation curves of the crude oils were modelled using the Riazi probability function. The prediction models of parameters To, A, and B from the Riazi probability function exhibited R2 correlation coefficients, higher than 0.94. The correlation model for the crude oil density showed a much better coefficient, higher than 0.99 and Root-Mean-Squared-Error (RMSE) close to 0.004. Additionally, even more important is the contribution of the use of UV-VIS spectroscopy as a useful tool to quickly evaluate the quality of crude oil.

Weathering Patterns of Ignitable Liquids with the Advanced Distillation Curve Method.

One can take advantage of the striking similarity of ignitable liquid vaporization (or weathering) patterns and the separation observed during distillation to predict the composition of residual compounds in fire debris. This is done with the advanced distillation curve (ADC) metrology, which separates a complex fluid by distillation into fractions that are sampled, and for which thermodynamically consistent temperatures are measured at atmospheric pressure. The collected sample fractions can be analyzed by any method that is appropriate. Analytical methods we have applied include gas chromatography (with flame ionization, mass spectrometric and sulfur chemiluminescence detection), thin layer chromatography, FTIR, Karl Fischer coulombic titrimetry, refractometry, corrosivity analysis, neutron activation analysis and cold neutron prompt gamma activation analysis. We have applied this method on product streams such as finished fuels (gasoline, diesel fuels, aviation fuels, rocket propellants), crude oils (including a crude oil made from swine manure) and waste oils streams (used automotive and transformer oils). In this paper, we present results on a variety of ignitable liquids that are not commodity fuels, chosen from the Ignitable Liquids Reference Collection (ILRC). These measurements are assembled into a preliminary database. From this selection, we discuss the significance and forensic application of the temperature data grid and the composition explicit data channel of the ADC.

Influence of PODE1 additive into ethanol-gasoline blends (E10) on fuel properties and phase stability.

Polyoxymethylene dimethyl ethers (PODEn, n = 1-8) as an oxygenated fuel are a promising alternative fuel with a high oxygen concentration, a low C:H ratio, and no C-C bonds in their chemical structure. This could lead to smoke-free combustion. In this study, we chose to focus on PODE1 because of its lower cetane number, which makes it more suitable for use in spark ignition (SI) engines. However, its lower boiling point and octane number remain challenges. A low boiling point may lead to high vapour pressure and require storage and handling comparable to gaseous fuels. We investigated the effect of adding PODE1 to gasoline-ethanol blends (E10) on fuel properties, including distillation curve, octane number, phase stability, C/O/H ratio, heat of combustion, kinematic viscosity, and density. Our results showed that the blended fuels of E10 and PODE1 are stable up to 10 % PODE1, and there was no phase separation. Additionally, up to 10 % PODE1 additive had no significant side effect on the fuel properties of E10, particularly boiling point and octane number. Thus, work offers creative points by proposing a new candidate for additive fuel to gasoline-ethanol blends, which contributes to reducing the soot emission of GDI engines.

Comprehensive Assessment of Composition and Thermochemical Variability by High Resolution GC/QToF-MS and the Advanced Distillation-Curve Method as a Basis of Comparison for Reference Fuel Development.

Commercial and military aviation is faced with challenges that include high fuel costs, undesirable emissions, and supply chain insecurity that result from the reliance on petroleum-based feedstocks. The development of alternative gas turbine fuels from renewable resources will likely be part of addressing these issues. The United States has established a target for one billion gallons of renewable fuels to enter the supply chain by 2018. These alternative fuels will have to be very similar in properties, chemistry, and composition to existing fuels. To further this goal, the National Jet Fuel Combustion Program (a collaboration of multiple U.S. agencies under the auspices of the Federal Aviation Administration, FAA) is coordinating measurements on three reference gas turbine fuels to be used as a basis of comparison. These fuels are reference fuels with certain properties that are at the limits of experience. These fuels include a low viscosity, low flash point, high hydrogen content "best case" JP-8 (POSF 10264) fuel, a relatively high viscosity, high flash point, low hydrogen content "worst case" JP-5 (POSF 10259) fuel, and a Jet-A (POSF 10325) fuel with relatively average properties. A comprehensive speciation of these fuels is provided in this paper by use of high resolution gas chromatography/quadrupole time-of-flight - mass spectrometry (GC/QToF-MS), which affords unprecedented resolution and exact molecular formula capabilities. The volatility information as derived from the measurement of the advanced distillation curve temperatures, Tk and Th, provides an approximation of the vapor liquid equilibrium and examination of the composition channels provides detailed insight into thermochemical data. A comprehensive understanding of the compositional and thermophysical data of gas turbine fuels is required not only for comparison but also for modeling of such complex mixtures, which will, in turn, aid in the development of new fuels with the goals of diversified feedstocks, decreased pollution, and increased efficiency.