Gas chromatographic retention index as a basis for predicting evaporation rates of complex mixtures

Analytica Chimica Acta - Tập 852 - Trang 257-266 - 2014
John W. Mcllroy1, A. Daniel Jones1,2, Victoria L. McGuffin1
1Department of Chemistry, Michigan State University, 578 South Shaw Lane, East Lansing, MI 48824, United States
2Department of Biochemistry and Molecular Biology, Michigan State University, 603 Wilson Road, East Lansing, MI 48824, United States

Tài liệu tham khảo

Kemsley, 2013, After the Deepwater Horizon disaster, Chem. Eng. News, 91, 12, 10.1021/cen-09122-cover1 Malmquist, 2007, Assessment of oil spill weathering by gas chromatography-mass spectrometry, time warping and principal component analysis, J. Chromatogr. A, 1164, 262, 10.1016/j.chroma.2007.07.015 Fingas, 1995, A literature-review of the physics and predictive modeling of oil–spill evaporation, J. Hazard. Mater., 42, 157, 10.1016/0304-3894(95)00013-K Fingas, 1997, Studies on the evaporation of crude oil and petroleum products: I. The relationship between evaporation rate and time, J. Hazard. Mater., 56, 227, 10.1016/S0304-3894(97)00050-2 Fingas, 1998, Studies on the evaporation of crude oil and petroleum products: II. Boundary layer regulation, J. Hazard. Mater., 57, 41, 10.1016/S0304-3894(97)00051-4 Riazi, 1996, Prediction of the rate of oil removal from seawater by evaporation and dissolution, J. Pet. Sci. Eng., 16, 291, 10.1016/S0920-4105(96)00031-9 Stiver, 1984, Evaporation rate of spills of hydrocarbons and petroleum mixtures, Environ. Sci. Technol., 18, 834, 10.1021/es00129a006 Sandercock, 2004, Chemical fingerprinting of gasoline: 2. Comparison of unevaporated and evaporated automotive gasoline samples, Forensic Sci. Int., 140, 43, 10.1016/j.forsciint.2003.11.016 Lehr, 2002, Revisions of the ADIOS oil spill model, Environ. Modell. Softw., 17, 191, 10.1016/S1364-8152(01)00064-0 Nielsen, 2012, Chemometric analysis of gas chromatography with flame ionisation detection chromatograms: a novel method for classification of petroleum products, J. Chromatogr. A, 1238, 121, 10.1016/j.chroma.2012.03.062 Yim, 2011, Fingerprint and weathering characteristics of stranded oils after the Hebei Spirit oil spill, J. Hazard. Mater., 197, 60, 10.1016/j.jhazmat.2011.09.055 Reed, 1999, Oil spill modeling towards the close of the 20th century: overview of the state of the art, Spill Sci. Technol. Bull., 5, 3, 10.1016/S1353-2561(98)00029-2 Wang, 2006, Crude oil and refined product fingerprinting: applications Zorzetti, 2011, Using GC×GC-FID profiles to estimate the age of weathered gasoline samples, Anal. Bioanal. Chem., 401, 2423, 10.1007/s00216-011-5130-0 Zorzetti, 2011, Estimation of the age of a weathered mixture of volatile organic compounds, Anal. Chim. Acta, 694, 31, 10.1016/j.aca.2011.03.021 Christensen, 2007, Practical aspects of chemometrics for oil spill fingerprinting, J. Chromatogr. A, 1169, 1, 10.1016/j.chroma.2007.08.077 Wang, 1999, Oil spill identification, J. Chromatogr. A, 843, 369, 10.1016/S0021-9673(99)00120-X Gaines, 2006, Chemometric determination of target compounds used to fingerprint unweathered diesel fuels, Environ. Forensics, 7, 77, 10.1080/15275920500506949 2011 Berry, 2012, The oil spill model OILTRANS and its application to the Celtic Sea, Mar. Pollut. Bull., 64, 2489, 10.1016/j.marpolbul.2012.07.036 R.K. Jones, (1997), A simplified pseudo-component oil evaporation model, Proceedings; Environmental Canada Twentieth Arctic and Marine Oilspill Program Technical Seminar, 1, 43. Fingas, 2004, Modeling evaporation using models that are not boundary-layer regulated, J. Hazard. Mater., 107, 27, 10.1016/j.jhazmat.2003.11.007 Development of OILTRANS model code, 2011. <http://www.arcopol.eu/arcopol/archivos/documentacion/102/Development_OILTRANS_model_code.pdf>. (retrieved February 17, 2014). French-McCay, 2004, Oil spill impact modeling: development and validation, Environ. Toxicol. Chem., 23, 2441, 10.1897/03-382 Mackay, 1973, Evaporation rates of liquid hydrocarbon spills on land and water, Can. J. Chem. Eng., 51, 434, 10.1002/cjce.5450510407 Regnier, 1975, Evaporation rates of oil components, Environ. Sci. Technol., 9, 469, 10.1021/es60103a008 Smith, 2001, Predicting evaporation rates and times for spills of chemical mixtures, Ann. Occup. Hyg., 45, 437, 10.1016/S0003-4878(00)00082-X Katritzky, 2010, Quantitative correlation of physical and chemical properties with chemical structure: utility for prediction, Chem. Rev., 110, 5714, 10.1021/cr900238d Katritzky, 2000, Structurally diverse quantitative structure-property relationship correlations of technologically relevant physical properties, J. Chem. Inf. Comput. Sci., 40, 1, 10.1021/ci9903206 Ulrich, 2013, Prediction of gas chromatographic retention indices as classifier in non-target analysis of environmental samples, J. Chromatogr. A, 1285, 139, 10.1016/j.chroma.2013.02.037 Arey, 2005, Using comprehensive two-dimensional gas chromatography retention indices to estimate environmental partitioning properties for a complete set of diesel fuel hydrocarbons, Anal. Chem., 77, 7172, 10.1021/ac051051n Eiserbeck, 2012, Comparison of GC–MS, GC-mrm–MS, and GC×GC to characterise higher plant biomarkers in tertiary oils and rock extracts, Geochim. Cosmochim. Acta, 87, 299, 10.1016/j.gca.2012.03.033 Nelson, 2006, Tracking the weathering of an oil spill with comprehensive two-dimensional gas chromatography, Environ. Forensics, 7, 33, 10.1080/15275920500506758 Smith, 1982, Arson analysis by mass chromatography, Anal. Chem., 54, 1399, 10.1021/ac00250a002 Stein, 2011, Retention indices Vandendool, 1963, A generalization of retention index system including linear temperature programmed gas–liquid partition chromatography, J. Chromatogr., 11, 463, 10.1016/S0021-9673(01)80947-X IUPAC, Compendium of chemical terminology (the gold book), Blackwell Scientific Publications, Oxford, 1997. XML on-line corrected version: http://goldbook.iupac.org (2006-) created by M. Nic J., Jirat, B. Kosata; updates compiled by A. Jenkins. doi:10.1351/goldbook. Yang, 1977, Modeling of oil evaporation in aqueous environment, Water Res., 11, 879, 10.1016/0043-1354(77)90076-8 Devore, 1991 Ingle, 1988 Makridakis, 1993, Accuracy measures – theoretical and practical concerns, Int. J. Forecast., 9, 527, 10.1016/0169-2070(93)90079-3 Makridakis, 1995 Snow, 1996, Determination of free-energy relationships using gas chromatography, J. Chem. Educ., 73, 592, 10.1021/ed073p592 Novak, 1980, Correlation of gas-chromatographic specific retention volumes of homologous compounds with temperature and methylene number, J. Chromatogr., 199, 209, 10.1016/S0021-9673(01)91374-3 Marriott, 2004, Gas chromatography Cazes, 2002 Zweig, 1972, Products and sources of chromatographic material, vol. II