Application of some physical organic chemistry models to the study of oil spills residues in Patagonian soils
The present study focuses on the application of some physical organic chemistry (POC) models for a better understanding of the interactions between oil spills and soil. By studying the sorption behavior of pure compounds, it was possible to examine the application of the multilayer model to the pred...
Guardado en:
| Autores principales: | , , |
|---|---|
| Formato: | JOUR |
| Materias: | |
| Acceso en línea: | http://hdl.handle.net/20.500.12110/paper_08943230_v21_n4_p329_Nudelman |
| Aporte de: |
| id |
todo:paper_08943230_v21_n4_p329_Nudelman |
|---|---|
| record_format |
dspace |
| spelling |
todo:paper_08943230_v21_n4_p329_Nudelman2023-10-03T15:42:01Z Application of some physical organic chemistry models to the study of oil spills residues in Patagonian soils Nudelman, N.S. Ríos, S.M. Katusich, O. BET model Crude oil sorption Distribution coefficients Oil NMR parameters Oil residues Oil spill PCA Crude petroleum Isotherms Methanol Nuclear magnetic resonance spectroscopy Principal component analysis Soils Sorption BET model Distribution coefficients Oil residues Physical organic chemistry (POC) models Oil spills The present study focuses on the application of some physical organic chemistry (POC) models for a better understanding of the interactions between oil spills and soil. By studying the sorption behavior of pure compounds, it was possible to examine the application of the multilayer model to the prediction of crude oil isotherms. The difference between the predicted and experimental oil isotherms was only 13%, which indicates the reliability of the model. The distribution coefficients, Kd of soil samples containing oil residuals of different ages, were also determined using methanol as a co-solvent. Desorption experiments showed that they are a function of the polarity of the liquid phases; the Kds, calculated by applying a model derived from the solvophobic theory, increase with increasing age. On the other hand, the natural attenuation of oil spills was studied by using GC and 1H NMR techniques. Signals for four types of aliphatic and for the aromatic protons were clearly assigned; signals for alcohol (OH) and carboxylic (COOH) protons were also observed; compounds exhibiting these polar groups are usually not detected in the GC-FID conventional analysis. The principal component analysis (PCA) of Kd and the parameters determined by GC and NMR, showed that the first and second PC, accounted for more than 95 and 81% of variance, for NMR and GC parameters, respectively. The detailed results suggest that the 1H NMR data would be more useful than GCs to evaluate the environmental transformations that oil spills undergo in Patagonian soils. Nevertheless, direct extrapolation of the present results to other environments is not possible because the changes depend strongly on the original chemical composition of the crude oil and the variable exposure conditions along the time. Copyright © 2008 John Wiley & Sons, Ltd. Fil:Ríos, S.M. Universidad de Buenos Aires. Facultad de Ciencias Exactas y Naturales; Argentina. JOUR info:eu-repo/semantics/openAccess http://creativecommons.org/licenses/by/2.5/ar http://hdl.handle.net/20.500.12110/paper_08943230_v21_n4_p329_Nudelman |
| institution |
Universidad de Buenos Aires |
| institution_str |
I-28 |
| repository_str |
R-134 |
| collection |
Biblioteca Digital - Facultad de Ciencias Exactas y Naturales (UBA) |
| topic |
BET model Crude oil sorption Distribution coefficients Oil NMR parameters Oil residues Oil spill PCA Crude petroleum Isotherms Methanol Nuclear magnetic resonance spectroscopy Principal component analysis Soils Sorption BET model Distribution coefficients Oil residues Physical organic chemistry (POC) models Oil spills |
| spellingShingle |
BET model Crude oil sorption Distribution coefficients Oil NMR parameters Oil residues Oil spill PCA Crude petroleum Isotherms Methanol Nuclear magnetic resonance spectroscopy Principal component analysis Soils Sorption BET model Distribution coefficients Oil residues Physical organic chemistry (POC) models Oil spills Nudelman, N.S. Ríos, S.M. Katusich, O. Application of some physical organic chemistry models to the study of oil spills residues in Patagonian soils |
| topic_facet |
BET model Crude oil sorption Distribution coefficients Oil NMR parameters Oil residues Oil spill PCA Crude petroleum Isotherms Methanol Nuclear magnetic resonance spectroscopy Principal component analysis Soils Sorption BET model Distribution coefficients Oil residues Physical organic chemistry (POC) models Oil spills |
| description |
The present study focuses on the application of some physical organic chemistry (POC) models for a better understanding of the interactions between oil spills and soil. By studying the sorption behavior of pure compounds, it was possible to examine the application of the multilayer model to the prediction of crude oil isotherms. The difference between the predicted and experimental oil isotherms was only 13%, which indicates the reliability of the model. The distribution coefficients, Kd of soil samples containing oil residuals of different ages, were also determined using methanol as a co-solvent. Desorption experiments showed that they are a function of the polarity of the liquid phases; the Kds, calculated by applying a model derived from the solvophobic theory, increase with increasing age. On the other hand, the natural attenuation of oil spills was studied by using GC and 1H NMR techniques. Signals for four types of aliphatic and for the aromatic protons were clearly assigned; signals for alcohol (OH) and carboxylic (COOH) protons were also observed; compounds exhibiting these polar groups are usually not detected in the GC-FID conventional analysis. The principal component analysis (PCA) of Kd and the parameters determined by GC and NMR, showed that the first and second PC, accounted for more than 95 and 81% of variance, for NMR and GC parameters, respectively. The detailed results suggest that the 1H NMR data would be more useful than GCs to evaluate the environmental transformations that oil spills undergo in Patagonian soils. Nevertheless, direct extrapolation of the present results to other environments is not possible because the changes depend strongly on the original chemical composition of the crude oil and the variable exposure conditions along the time. Copyright © 2008 John Wiley & Sons, Ltd. |
| format |
JOUR |
| author |
Nudelman, N.S. Ríos, S.M. Katusich, O. |
| author_facet |
Nudelman, N.S. Ríos, S.M. Katusich, O. |
| author_sort |
Nudelman, N.S. |
| title |
Application of some physical organic chemistry models to the study of oil spills residues in Patagonian soils |
| title_short |
Application of some physical organic chemistry models to the study of oil spills residues in Patagonian soils |
| title_full |
Application of some physical organic chemistry models to the study of oil spills residues in Patagonian soils |
| title_fullStr |
Application of some physical organic chemistry models to the study of oil spills residues in Patagonian soils |
| title_full_unstemmed |
Application of some physical organic chemistry models to the study of oil spills residues in Patagonian soils |
| title_sort |
application of some physical organic chemistry models to the study of oil spills residues in patagonian soils |
| url |
http://hdl.handle.net/20.500.12110/paper_08943230_v21_n4_p329_Nudelman |
| work_keys_str_mv |
AT nudelmanns applicationofsomephysicalorganicchemistrymodelstothestudyofoilspillsresiduesinpatagoniansoils AT riossm applicationofsomephysicalorganicchemistrymodelstothestudyofoilspillsresiduesinpatagoniansoils AT katusicho applicationofsomephysicalorganicchemistrymodelstothestudyofoilspillsresiduesinpatagoniansoils |
| _version_ |
1807316213685026816 |