A detailed geochemical study of oil samples from an onshore field in the Niger Delta was carried out for their characterization and correlation. The samples were analyzed using Gas Chromatographic (GC), Gas Chromatographic-Mass Spectrometric (GC-MS) and Inductively Coupled Plasma-Mass Spectrometric (ICP-MS) analytical techniques. The results showed that CPI, Pr/Ph, Pr/nC 17 , Ph/nC 18 and odd/even ratios ranged from 0.91 to 1.17, 3.07 to 6.04, 0.39 to 0.80, 0.14 to 3.30 and 1.33 to 1.39 respectively. The concentration levels of Co, Cr, Cu, Fe, Ni and V ranged from 0.9 to 32, 6.2 to 24, 3.31 to 19.4, 11.4 to 1241, 26.3 to 144 and 11.0 to 29.7 pbb respectively. The Pr/nC 17 vs. Ph/nC 18 plot revealed two oil types; non-degraded and minor degraded oils, which were derived from organic matter deposited in transitional environments. This suggests that both oil types have identical source rocks. Also, CPI values of 0.91 to 1.17 indicated that the oils are thermally mature. Biomarker data also discriminated the oils into two groups on the basis of biodegradation and revealed that the oils are mature and generated at almost the same thermal maturity level. The results of Ni vs. V, Co/Ni vs. V/Ni cross plots and cluster analysis similarly revealed identical two oil types. The similarity in the results of both organic and inorganic geochemistry of these oils shows that an integrated organic and inorganic geochemical data provide a reliable tool for the evaluation, characterization and correlation of crude oils.
The inhibiting activity of 3 sets of organic compounds ([2-[(2,3-dihydroxypropyl)sulfanyl]-N-octylacetamide (DSO), 2-[(2,3-dihydroxypropyl)sulfanyl]-N-decylacetamide (DSD) and 2-[(2,3-dihydroxypropyl)sulfanyl]-N-dodecylacetamide (DSDD)) were studied. The studied anti-corrosion compounds i.e. 2,3-dihydroxypropyl-sulfanyl derivatives were calculated using quantum chemical calculation and several descriptors (highest occupied molecular orbital energy (E HOMO), lowest unoccupied molecular orbital energy (E LUMO) and chemical reactivity indices (global electrophilicity index (ω), chemical hardness (η), electronegativity (χ), local reactivity index, electron affinity and ionization potential) which described the anti-corrosion properties of the studied compounds were obtained. Fukui Indices for nucleophilic and electrophilic Attacks for inhibitors i.e. [2-[(2,3dihydroxypropyl)sulfanyl]-N-octylacetamide (DSO), 2-[(2,3-dihydroxypropyl)sulfanyl]-Ndecylacetamide (DSD) and 2-[(2,3-dihydroxypropyl)sulfanyl]-N-dodecylacetamide (DSDD) were observed and sites for nucleophilic and electrophilic attacks for DSO were C6 (0.047) and O3 (0.170); for DSD, the utmost value for was found on C6 (0.047), and the highest value for was located on C5 with 0.099 while the greatest value for was situated on C6 with 0.047 and the highest value for is found on C3 and C4 with 0.053 each for the DSDD molecule. The molecules used in this study was calculated using quantum chemical calculation and it was achieved using Spartan 14. More so, the QSAR study using multiple linear regression method was executed using Gretl 1.9.8. The selected descriptors among the entire calculated descriptors were used in the development of quantitative structural activity relationship (QSAR) model and the developed model replicated the observed %IE. The correlation coefficient (R 2) was calculated to be 0.926, cross validation (CV.R 2) was 0.963 and adjusted R 2 was 0.852. Also, E LUMO was the predominating parameter in the corrosion inhibition property of the studied compounds.
Thirty four shale samples from the Tertiary Agbada Formation were analysed for TOC and Rock‐Eval pyrolysis parameters in order to evaluate the effect of oil‐based mud contamination on source‐rock characterization. The samples were obtained from five wells in the offshore Niger Delta over a depth range of 5,460ft to 11,580ft. The results indicated that the raw (unextracted) samples were dominated by Type III kerogen. However, after extraction, both Types II/III and III kerogen were identified, consistent with previous studies. These results demonstrate that it is essential that shale samples should be extracted prior to TOC and Rock‐Eval pyrolysis for accurate source‐rock evaluation.
The corrosion inhibition efficiency of three quinoline derivatives namely; ethyl 2-(((8-hydroxyquinolin5-yl)methyl)amino)acetate (QN1), 5-((benzylamino)methyl)quinolin-8-ol (QN2) and 5-(azidomethyl)quinolin-8-ol (QN3) on the mild steel in 1 M HCl was studied using density functional theory (DFT) calculations and quantitative structural activity relationship (QSAR) approach. The experimental inhibition efficiency were discussed in relation with molecular descriptors such as such as EHOMO (energy of the highest occupied molecular orbital), ELUMO (energy of the lowest unoccupied molecular orbital), band gap (BG), dipole moment (DM), chemical hardness (η), softness (σ), electronegativity (χ), electrophilicity (ω), global nucleophilicity (ɛ), electrons transferred from inhibitors to metal surface (ΔN), initial molecule–metal interaction energy (∆ψ), the energy change during electronic back-donation process (ΔEb-d), Molecular weight (MW), and Volume (V). The result showed that EHOMO, σ , ω, ΔN, ∆Eb-d and ∆ψ increases as the percentage inhibition efficiency (%IE) increases. ELUMO, BG, η , DM, and e decreases with increasing% IE, while χ , MW and V did not show any correlation with %IE. The QSAR model developed reproduced the observed corrosion inhibition efficiencies of these compounds well with a cross validation (CV. R2 ) value of 0.9994 and adjusted squared correlation coefficient (R2 adj) value of 0.9988. The results obtained in the study are in good agreement with experimental inhibition efficiency results reported earlier in literature.Keywords: Corrosion Inhibition, Quantum Chemical Calculation, Quinoline Derivatives, QSAR
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