Estimation of pure component properties. Part 4: Estimation of the saturated liquid viscosity of non-electrolyte organic compounds via group contributions and group interactions

Nannoolal, Yash; Rarey, Jürgen; Ramjugernath, Deresh

doi:10.1016/j.fluid.2009.02.016

Cited by 186 publications

(468 citation statements)

References 15 publications

(8 reference statements)

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“…In order to provide a quantitative comparison for the sensitivity of our model predictions with respect to p° values, we provide here a case comparison with three distinct p° estimation methods: (i) EVAPORATION, (ii) the method of Nannoolal et al 94 with normal boiling point temperatures (T b ) estimated by the model of Nannoolal et al 95 (denoted in the following as N-N method) and (iii) the method by Myrdal and Yalkowsky 96 with T b estimation by the model of Nannoolal et al 95 (denoted in the following as MY-N method). As noted by O'Meara et al 92 , the EVAPORATION and N-N methods are typically better suited for predictions of p° of low volatility compounds, while the MY-N method has been shown to have a high bias in the predicted p° of low volatility compounds.…”

Section: Supplementary Information Researchmentioning

confidence: 99%

Section: Supplementary Information Researchmentioning

confidence: 99%

“…(b) N-N method: estimation of p° by the method of Nannoolal et al 94 with required normal boiling point temperatures (T b ) estimated by the model of Nannoolal et al 95 ; obtained using the UManSysProp property predictive techniques online tool (http://umansysprop.seaes.manchester.ac.uk; by Topping et al 98 . (c) MY-N method: estimation of p° by the method of Myrdal and Yalkowsky 96 with T b estimation by the model of Nannoolal et al 95 ; obtained using the UManSysProp tool. elemental carbon in the aqueous sample/particle (ppm C), is quantified from surface tension measurements of atmospheric fog and cloud-water samples collected from diverse environments ranging from the Po Valley fog in Italy, to maritime clouds in the Atlantic (Tenerife), and clouds influenced by biomass burning, and regional haze in Korea (Fig. …”

Section: Supplementary Information Researchmentioning

confidence: 99%

See 2 more Smart Citations

Surface tension prevails over solute effect in organic-influenced cloud droplet activation

Ovadnevaitė

Zuend

Laaksonen

et al. 2017

Nature

283

373

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Section: Supplementary Information Researchmentioning

confidence: 99%

Section: Supplementary Information Researchmentioning

confidence: 99%

Section: Supplementary Information Researchmentioning

confidence: 99%

See 1 more Smart Citation

Surface tension prevails over solute effect in organic-influenced cloud droplet activation

Ovadnevaitė

Zuend

Laaksonen

et al. 2017

Nature

283

373

View full text Add to dashboard Cite

“…Topping et al, 2013). The methods of organic vapour pressure and boiling point estimation according to Nannoolal et al (2008Nannoolal et al ( , 2004 and non-ideality (including solute-solute interactions) according to AIOMFAC (Zuend et al, 2011;Zuend et al, 2008) were used. A nominal 0.005 nmol m −3 ammonium sulfate seed was assumed (currently, UManSysProp does not allow for inorganic charge imbalance) and particulate organic mass concentrations were compared between conditions typical of the top of the boundary layer (295 K, 80 % RH) and the lowest altitude sampled (302 K, 60 % RH).…”

Section: Boundary Layer Profilementioning

confidence: 99%

Airborne observations of IEPOX-derived isoprene SOA in the Amazon during SAMBBA

et al. 2014

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Abstract. Isoprene is a potentially highly significant but currently poorly quantified source of secondary organic aerosols (SOA). This is especially important in the tropics, where large rainforests act as significant sources of isoprene. Methylfuran, produced through thermal decomposition during analysis, has recently been suggested as a marker for isoprene SOA formation through the isoprene epoxydiol (IEPOX) route, which mostly occurs under low NO x conditions. This is manifested as a peak at m/z = 82 in Aerodyne Aerosol Mass Spectrometer (AMS) data. Here we present a study of this marker measured during five flights over the Amazon rainforest on board the UK Facility for Airborne Atmospheric Measurement (FAAM) BAe-146 research aircraft during the South American Biomass Burning Analysis (SAMBBA) campaign. Cases where this marker is and is not present are contrasted and linked to the presence of acidic seed particles, lower NO x concentrations and higher humidities. There are also data to suggest a role of organic nitrogen in the particulate composition. Furthermore, an inspection of the vertical trends of the marker indicates that concentrations are highest at the top of the boundary layer (possibly due to semivolatile repartitioning) and that upwards through the free troposphere, the mass spectral profile evolves towards that of low volatility oxygenated aerosol. These observations offer insights into the behaviour of IEPOX-derived SOA formation above the Amazon rainforest and the suitability of methylfuran as a marker for this process.

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“…ξ is the activity coefficient of the species in the condensed phase (assumed to be unity) and p 0 L (Torr) is the saturation vapour pressure. Estimates for p 0 L can be derived from structure-based methods 1 (Stein and Brown, 1994;Myrdal and Yalkowsky, 1997;Nannoolal et al, 2004;Moller et al, 2008;Nannoolal et al, 2008;Compernolle et al, 2011). The partitioning of organic acids is also influenced by their dissociation in the particle phase which depends on pH (−log[H + ]).…”

Section: Partitioning Theorymentioning

confidence: 99%

Online measurements of water-soluble organic acids in the gas and aerosol phase from the photooxidation of 1,3,5-trimethylbenzene

et al. 2014

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Abstract. The formation of organic acids during photooxidation of 1,3,5-trimethylbenzene (TMB) in the presence of NO x was investigated with an online ion chromatography (IC) instrument coupled to a mass spectrometer (MS) at the Paul Scherrer Institute's smog chamber. Gas and aerosol phase were both sampled. Molecular formulas were attributed to 12 compounds with the help of high-resolution MS data from filter extracts (two compounds in the gas phase only, two in the aerosol phase only and eight in both). Seven of those species could be identified: formic acid, acetic acid, glycolic acid, butanoic acid, pyruvic acid, lactic acid and methylmaleic acid. While the organic acid fraction present in the aerosol phase does not strongly depend on the precursor concentration (6 to 20 %), the presence of SO 2 reduces this amount to less than 3 % for both high and low precursor concentration scenarios. A large amount of acetic acid was injected during one experiment after aerosol formation, but no increase of acetic acid particle concentration could be observed. This indicates that the unexpected presence of volatile organic acids in the particle phase might not be due to partitioning effects, but to reactive uptake or to sampling artefact.

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Estimation of pure component properties. Part 4: Estimation of the saturated liquid viscosity of non-electrolyte organic compounds via group contributions and group interactions

Cited by 186 publications

References 15 publications

Surface tension prevails over solute effect in organic-influenced cloud droplet activation

Surface tension prevails over solute effect in organic-influenced cloud droplet activation

Airborne observations of IEPOX-derived isoprene SOA in the Amazon during SAMBBA

Online measurements of water-soluble organic acids in the gas and aerosol phase from the photooxidation of 1,3,5-trimethylbenzene

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