Numerical simulation of crude oil behaviour from chromatographic data

Burg, Philippe; Selves, Jean-Louis; Colin, J.P.

doi:10.1016/0003-2670(95)00403-3

Cited by 13 publications

(4 citation statements)

References 35 publications

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“…The "l" term expressing general dispersion interactions is large with both fluids studied, and that reflects the high ratio of heavy molecules. The "r" term expressing partly the oil polarity vanishes, as was reported previously by Selves et al and Mutelet et al 18,[23][24] This result is surprising in the case of highly aromatic oils. Indeed, dispersion forces and n-π interactions present in aromatic systems result usually in high values of the excess molar refractivity, R 2 .…”

supporting

confidence: 65%

“…This confirms the old theory attributing to resins a crucial role in stabilizing the asphaltene micelles. [24][25][26][27][28] In the case of a high excess of n-heptane, chemical properties of asphaltenes precipitated with different ratios of n-heptane are very similar. Decreasing values of thecoefficient l, characterizing dispersion forces, with an increasing amount of n-heptane, indicate that aggregates contain not only asphaltenes but also some amount of n-heptane that increases with n-heptane total concentration.…”

mentioning

confidence: 99%

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Solubility Parameters of Crude Oils and Asphaltenes

Mutelet¹,

Ekulu²,

Solimando³

et al. 2004

Energy Fuels

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Results obtained with flocculation threshold experiments and with inverse gas chromatography were used to validate the use of the solubility parameter approach to asphaltene flocculation phenomena. It was found that values of solubility parameters obtained with both methods are in good agreement. The global solubility parameter of the crude oils was factorized in terms of Linear Solvation Energy Relationship (LSER) coefficients corresponding to a given fluid. Results confirm the validity of the three-dimensional solubility parameter proposed by Hansen to deal with petroleum fluids.

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supporting

confidence: 65%

mentioning

confidence: 99%

Solubility Parameters of Crude Oils and Asphaltenes

Mutelet¹,

Ekulu²,

Solimando³

et al. 2004

Energy Fuels

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“…The r-coefficient reflects the interaction of the phase with solute π-and σ-lone pairs, the s-coefficient is a measure of the phase dipolarity/polarizability, the a-coefficient is a measure of the phase hydrogen-bond basicity, the b-coefficient is a measure of the phase hydrogen-bond acidity, and the l-coefficient is a measure of the phase hydrophobicity. Equation 4 has been applied to numerous sets of gas-liquid chromatographic data, 26,27 to gas-solid adsorption, 28 to the solubility of gases and vapors in water, 24 organic solvents, 20 biological systems, 29 polymers, 30 and petroleum oils, 31 to the characterization of phases for chemical sensors, 32 to the characterization of fullerene, 33 and in the analysis of the effect of gases and vapors in nasal pungency 34 and eye irritation. 35 A very similar equation to eq 4 is used 26 to correlate processes within condensed phase; it differs only in that the final descriptor is the McGowan 36 characteristic volume, V X , in (mL mol -1 )/100.…”

Section: Methodsmentioning

confidence: 99%

Correlation and estimation of gas–chloroform and water–chloroform partition coefficients by a linear free energy relationship method

Abraham¹,

Platts²,

Hersey³

et al. 1999

Journal of Pharmaceutical Sciences

101

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A linear free energy relationship, LFER, has been used to correlate 150 values of gas-chloroform partition coefficients, as log Lchl with a standard deviation, sd, of 0.23 log units, a correlation coefficient r2 of 0.985, and an F-statistic of 1919. The equation reveals that bulk chloroform is dipolar/polarizable, of little hydrogen-bond basicity, but as strong a hydrogen-bond acid as bulk methanol or bulk ethanol. However, the main influence on gaseous solubility in chloroform is due to solute-solvent London dispersion interactions. A slightly modified LFER has been used to correlate 302 values of water-chloroform partition coefficients, as log Pchl. The correlation equation predicts log Pchl for a further 34 compounds not used in the equation with sd = 0.17 log units. When the LFER is applied to all 335 log Pchl values, the resulting equation has sd = 0.25, r2 = 0.971, and F = 2218.

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“…The coefficients are found by multiple linear regression analysis (MLRA) for a series of log SP values for VOCs with known descriptors. Numerous properties have been examined through eqs 1 and 2, and coefficients have been established for a wide range of gassolvent partitions (16)(17)(18)(19)(20)(21)(22)(23), water-solvent partitions (20,21,(24)(25)(26), and many other transport properties (27)(28)(29)(30)(31)(32)(33)(34).…”

Section: Introductionmentioning

confidence: 99%

Partition of Volatile Organic Compounds from Air and from Water into Plant Cuticular Matrix: An LFER Analysis

Platts

Abraham

1999

Environ. Sci. Technol.

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The partitioning of organic compounds between air and foliage and between water and foliage is of considerable environmental interest. The purpose of this work is to show that partitioning into the cuticular matrix of one particular species can be satisfactorily modeled by general equations we have previously developed and, hence, that the same general equations could be used to model partitioning into other plant materials of the same or different species. The general equations are linear free energy relationships that employ descriptors for polarity/polarizability, hydrogen bond acidity and basicity, dispersive effects, and volume. They have been applied to the partition of 62 very varied organic compounds between cuticular matrix of the tomato fruit, Lycopersicon esculentum, and either air (MX a ) or water (MX w ). Values of log MX a covering a range of 12.4 log units are correlated with a standard deviation of 0.232 log unit, and values of log MX w covering a range of 7.6 log unit are correlated with an SD of 0.236 log unit. Possibilities are discussed for the prediction of new air-plant cuticular matrix and water-plant cuticular matrix partition values on the basis of the equations developed.

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Numerical simulation of crude oil behaviour from chromatographic data

Cited by 13 publications

References 35 publications

Solubility Parameters of Crude Oils and Asphaltenes

Solubility Parameters of Crude Oils and Asphaltenes

Correlation and estimation of gas–chloroform and water–chloroform partition coefficients by a linear free energy relationship method

Partition of Volatile Organic Compounds from Air and from Water into Plant Cuticular Matrix: An LFER Analysis

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