Determination of flash point and Reid vapor pressure in petroleum from HTGC and DHA associated with chemometrics

Correlation analysis of modern analytical data – a chemometric dissection of spectral and chromatographic variables

“…More specic conditions are available in a previous paper. 32 ESI(AE)FT-ICR MS. The ESI(±)FT-ICR MS was carried out in the same equipment present in 1.1.3.…”

“…Another analytical instrument for analyzing crude oil is the HTGC, which provides information about the composition and yield of the fractions through the retention time of the chemical structures present. 32,33 HTGC manages to reach higher temperatures from the development of columns formed by resistant capillaries, favoring the separation of petroleum compounds from carbon chains up to n-C120. Rodrigues et al 33 (2018) determined physicochemical properties (API gravity, kinematic viscosity, pour point, carbon residue, saturated and aromatic) of petroleum with high accuracy results using HTGC associated with PLS regression.…”

“…Rodrigues et al 33 (2018) determined physicochemical properties (API gravity, kinematic viscosity, pour point, carbon residue, saturated and aromatic) of petroleum with high accuracy results using HTGC associated with PLS regression. Nascimento et al 32 (2018) used HTGC data fusion and detailed hydrocarbons analysis (DHA) to estimate the properties flash point and Reid vapor pressure of crude oils combined with PLS regression. The authors concluded that HTGC is sufficient to estimate Reid vapor pressure, while Flashpoint requires data fusion from the two techniques DHA (regions from n –C5 to n –C14) and HTGC (regions from n –C14 to n –C120).…”

Variable Selection Methods Applied in HTGC Data to Determine Physicochemical Properties of Crude Oils

“…In a similar vein, Nascimento et al (2018) employed HTGC in conjunction with detailed hydrocarbon analysis (DHA) to estimate the true boiling point (TBP) curve and predict flash point and Reid vapor pressure using partial least squares (PLS) models (NASCIMENTO et al, 2018). By combining these chromatographic methods, the researchers were able to develop predictive models that closely resembled the outcomes of the standard method.…”

“…By combining these chromatographic methods, the researchers were able to develop predictive models that closely resembled the outcomes of the standard method. This success can be attributed to the fact that each method offered a complementary elution range compared to the other, enhancing the overall predictive capabilities (NASCIMENTO et al, 2018).…”