Characterization of hydrocarbon systems by DBE concept

Korsten, Hans

doi:10.1002/aic.690430619

Cited by 22 publications

(18 citation statements)

References 17 publications

(16 reference statements)

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“…Consequently, the actual viscosity equals the ideal liquid viscosity. Figure 9 shows the results of this new approach in comparison with some of the other methods discussed in this article applied to the vacuum gas oil (VGO) specified in Table 4 in Korsten (1997). able results can be obtained.…”

Section: @ ( T ) = @(T)[f(t)]'-f't'mentioning

confidence: 92%

Viscosity of liquid hydrocarbons and their mixtures

Korsten

2001

AIChE Journal

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Section: @ ( T ) = @(T)[f(t)]'-f't'mentioning

confidence: 92%

Viscosity of liquid hydrocarbons and their mixtures

Korsten

2001

AIChE Journal

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“…The CHNOS molecules with DBE ranging from 1 to 3 dominated the absorption (both b abs and mean Mb abs ) of this subgroup and those with DBE values higher than 3 contributed little possibly due to their nonaromatic structures. Since the DBE of benzene ring is 4, molecules with DBE less than 3 indicate double bond only (Korsten, 1997), and the absorption may be from the heteroatom functionality of CHNOS. For instance, 10.1029/2020GL087977 both chromopheres (like C¼N, C¼O, N¼N, N¼O, and C¼S) and auxochromes (like -NH,-OH,-SH) containing heteroatom can also contribute to molecular light absorption (Alexander & Jackson, 1976;Yu et al, 2005;Shindy, 2017).…”

Section: Effect Of Molecular Conjugation On Brc B Absmentioning

confidence: 99%

Molecular Absorption and Evolution Mechanisms of PM_2.5Brown Carbon Revealed by Electrospray Ionization Fourier Transform–Ion Cyclotron Resonance Mass Spectrometry During a Severe Winter Pollution Episode in Xi'an, China

Zeng

Shen

Takahama

et al. 2020

Geophysical Research Letters

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Knowledge of the molecular-level chemistry of brown carbon (BrC) is important in reducing the uncertainties in aerosol radiative forcing. Time-resolved ambient PM 2.5 samples were collected during a severe pollution episode in January 2017 over Xi'an, China for a comprehensive nontarget and full scanning of BrC molecules and their absorption properties using electrospray ionization Fourier transform-ion cyclotron resonance mass spectrometry combined with partial least squares regression analysis, which apportioned the overall ultraviolet absorption to individual molecules. The estimated absorption of CHNO and CHNOS molecules exhibited nighttime prevalence, whereas CHOS, CHNS, CHN, CHO, CHS, and CH molecules presented a dynamic trend. Carbon conjugation was positively correlated with estimated absorption by CHO and CHNO molecules, while exhibiting a mixed relationship with CHNOS. Higher nitrogen content was associated with enhanced light-absorption properties of BrC molecules, while higher oxygen and sulfur content appeared to be associated with photobleaching during secondary transformation.Plain Language Summary Individual molecular absorption has significant implications for ambient brown carbon analysis, but existing studies mostly focused on bulk absorption properties for the sample as a whole. A novel method is presented here to evaluate individual brown carbon absorption at the molecular level through high resolution mass spectrometry, and partial least squares regression analysis was applied to PM 2.5 samples collected during a heavy pollution episode in Xi'an, China. Nitrogen-containing compounds were found to be the strongest contributor to brown carbon absorption, especially during the nighttime, while processes involving oxidation and sulfur addition appeared to weaken the molecular absorption. This study bridges the gap between real atmospheric PM 2.5 absorption and knowledge from controlled laboratory studies, which support these findings.

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“…The fundamentals and the theoretical background of the DBE concept are given by Korsten [47]. It has been shown that hydrocarbons can be characterized by their molecular weight and by their double-bond equivalent (DBE).…”

Section: Critical Data By Dbe Conceptmentioning

confidence: 99%

“…(36) is derived from Eq. (38): (38) with the structural information calculated as published by Korsten [47]. In Tab.…”

Section: Critical Temperaturementioning

confidence: 99%

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Critical Properties of Hydrocarbon Systems

Korsten¹

1998

Chem. Eng. Technol.

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The main objective of this article is to provide a model for predicting critical properties of heavy and nonboiling hydrocarbon fractions. For this purpose, the methods available today are discussed. The procedures for application to complex mixtures are of empirical nature, and most of them are limited to distillates.The detailed information required for application of group contribution methods is usually not available for complex heavy mixtures. A new procedure is presented which takes up the concept of group contributions. The critical properties are predicted on the basis of the molecular weight and the double-bond equivalent (DBE). Since the DBE can be calculated from molecular weight and elemental composition, even nonboiling fractions can be characterized. The exactness of the model depends on the available analytical information.

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Characterization of hydrocarbon systems by DBE concept

Cited by 22 publications

References 17 publications

Viscosity of liquid hydrocarbons and their mixtures

Viscosity of liquid hydrocarbons and their mixtures

Molecular Absorption and Evolution Mechanisms of PM_2.5Brown Carbon Revealed by Electrospray Ionization Fourier Transform–Ion Cyclotron Resonance Mass Spectrometry During a Severe Winter Pollution Episode in Xi'an, China

Critical Properties of Hydrocarbon Systems

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Characterization of hydrocarbon systems by DBE concept

Cited by 22 publications

References 17 publications

Viscosity of liquid hydrocarbons and their mixtures

Viscosity of liquid hydrocarbons and their mixtures

Molecular Absorption and Evolution Mechanisms of PM2.5Brown Carbon Revealed by Electrospray Ionization Fourier Transform–Ion Cyclotron Resonance Mass Spectrometry During a Severe Winter Pollution Episode in Xi'an, China

Critical Properties of Hydrocarbon Systems

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Molecular Absorption and Evolution Mechanisms of PM_2.5Brown Carbon Revealed by Electrospray Ionization Fourier Transform–Ion Cyclotron Resonance Mass Spectrometry During a Severe Winter Pollution Episode in Xi'an, China