Mass Accommodation Coefficients of Phenol, 2-Nitrophenol, and 3-Methylphenol over the Temperature Range 278−298 K

Müller, B.; Heal, Mathew R.

doi:10.1021/jp013559+

Cited by 16 publications

(26 citation statements)

References 48 publications

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“…Our results (DH obs , DS obs ) are in very good agreement with the theoretical values calculated using eqns ( 11) and ( 12) and the experimental results given, for example, by Jayne et al for aliphatic alcohols, 28 by Mu¨ller and Heal for phenol, 40 by Leyssens et al for 2-nitrophenol and cresol isomers, 16 by Raja and Valsaraj for naphthalene, 41 or by Katrib et al for dimethyl-and diethylcarbonate, 37 as shown in Fig. 4 where the black points correspond to the theoretical values a The given errors are calculated with a 95% confidence interval limit using the student's t-distribution.…”

Section: Mass Accommodation Coefficientssupporting

confidence: 92%

Tropospheric multiphase chemistry of 2,5- and 2,6-dimethylphenols: determination of the mass accommodation coefficients and the Henry’s law constants

Diévart

Allou²,

Louis

et al. 2006

Phys. Chem. Chem. Phys.

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The uptake of 2,5-dimethylphenol and 2,6-dimethylphenol on aqueous surfaces was measured between 279 and 293 K, using the wetted-wall flow tube technique coupled with UV absorption spectroscopic detection. For both compounds, the uptake coefficients gamma were found to be independent of the KOH scavenger concentration in the range of 0.01 to 1 M (pH > pK(a)) and of the liquid-gas contact times. In addition, the uptake coefficients and the derived mass accommodation coefficients alpha show a negative temperature dependence in the investigated temperature range. The mass accommodation coefficients decrease from 1.1 x 10(-3) to 1.1 x 10(-4), and from 5.4 x 10(-4) to 6.4 x 10(-5) for 2,5-dimethylphenol and 2,6-dimethylphenol, respectively. These results are used to discuss the incorporation of these species into the liquid using the nucleation theory. Henry's law constants (HLC) of both compounds were directly measured using a dynamic equilibrium system based on the water/air equilibrium at the interface within the length of a microporous tube. The measurements were conducted over the range 278-293 K in both deionized water and 35 g L(-1) solution of NaCl. At 293 K and in pure water, HLC were found to be equal to (in units of M atm(-1)): 2,5-dimethylphenol, HLC = (1270 +/- 240); 2,6-dimethylphenol, HLC = (250 +/- 80). All of the values for HLC in 35 g L(-1) salt solution were 5-55% lower than the corresponding values in deionized water, depending on the compound and the temperature. These data (mass accommodation coefficients and Henry's law constants) were then used to estimate the partitioning of these phenolic compounds between gaseous and aqueous phases and the corresponding atmospheric lifetimes under clear sky (tau(gas)) and cloudy conditions (tau(multiphase)) have then been derived. The calculated multiphase lifetimes (in units of hours) are lower than those in gas phase at a cumulus temperature of 283 K (in parentheses): 2,5-dimethylphenol, 2.2 (3.5); 2,6-dimethylphenol, 3.8 (4.2).

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Section: Mass Accommodation Coefficientssupporting

confidence: 92%

Tropospheric multiphase chemistry of 2,5- and 2,6-dimethylphenols: determination of the mass accommodation coefficients and the Henry’s law constants

Diévart

Allou²,

Louis

et al. 2006

Phys. Chem. Chem. Phys.

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“…The mass accommodation coefficients  have been measured for the cresol isomers by Louis and coworkers (Leyssens et al, 2004) and their values at 293K are respectively equal to 6.6  10 -4 for o-cresol, 1.1  10 -3 for m-cresol, and 2.9  10 -3 for p-cresol. In addition, a value of 8.3  10 -3 for phenol at 293 K has already been reported by Müller and Heal (Müller and Heal, 2002). From the values of  the calculated accommodation time scale varies between 0.6 and 8.4 min.…”

Section: Atmospheric Implicationsmentioning

confidence: 52%

Henry's law constant measurements for phenol, o-, m-, and p-cresol as a function of temperature

Feigenbrugel

Calvé

Mirabel

et al. 2004

Atmospheric Environment

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In this work, a dynamic system based on the water/air equilibrium at the interface within the length of a microporous tube was used to experimentally determine the Henry's Law Constants (HLC) of phenol and cresols. The measurements were conducted over the range 278-298 K in both deionized water and 35 g L -1°/°° solution of NaCl. At 293 K and in pure water, HLC were found to be equal to (in units of M atm -1 ): phenol, HLC = (1005  270); ocresol, HLC = (690  95); m-cresol, HLC = (1324  172); p-cresol, HLC = (1742 ± 360). The obtained data were used to derive the following Arrhenius expressions: HLC = (4.1 ± 0.6)  10 -9 exp((7684 ± 874)/T), HLC = (1.5 ± 0.1)  10 -10 exp((8544 ± 512)/T), HLC = (5.5 ± 0.4)  10 -11 exp((9028 ± 508)/T) and HLC = (3.3 ± 0.4)  10 -11 exp((9258 ± 818)/T) for phenol, ocresol, m-cresol and p-cresol, respectively. All of the values for HLC in 35 g L -1 salt solution were 10 to 30% lower than their respective values in deionised water, depending on the compound and the temperature. These data were then used to estimate the fractions of phenol or of cresols in atmospheric aqueous phase. In order to evaluate the impact of a cloud on the atmospheric chemistry of phenol and cresols, we compare also their atmospheric lifetimes under clear sky (τgas), and cloudy conditions (τmultiphase). The calculated multiphase lifetimes (in units of days) are 2 significantly lower than those in gas phase at a cumulus temperature of 283 K (in parentheses): phenol, 0.26 (0.45); o-cresol, 0.17 (0.24); m-cresol, 0.13 (0.22); p-cresol, 0.11 (0.23).

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“…(1) described by Jacob (2000), where r is the radius of the particle, D g is the gas-phase molecular diffusion coefficient, v is the mean molecular speed, α is the RONO 2 mass accommodation coefficient, A is the aerosol surface area per unit volume of air, and N is the gas phase RONO 2 concentration. Assuming a mass accommodation factor (α) similar to that for 2-nitrophenol, 0.012 (Muller and Heal, 2002), a D g of 0.2 cm 2 s −1 (Jacob, 2000), and a calculated v of 1.72 × 10 4 cm s −1 , the estimated timescale for uptake into the aerosol phase, τ uptake (R in /N ), was calculated to be 194 s. That value, the lower limit timescale for the loss of RONO 2 in our system after partitioning to the particle phase, is much shorter than Introduction…”

Section: Gas-particle Partitioning Of Monoterpene-derived Organic Nitmentioning

confidence: 99%

Determination of α-pinene-derived organic nitrate yields: particle phase partitioning and hydrolysis

Rindelaub¹,

McAvey²,

Shepson³

2014

Preprint

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Abstract. The hydroxyl radical oxidation of α-pinene under high NOx conditions was studied in a photochemical reaction chamber to investigate organic nitrate (RONO2) production and partitioning between the gas and particle phases. We report an organic nitrate yield of 26 ± 7% from the oxidation of this monoterpene in the presence of nitric oxide (NO). However, the organic nitrate yield was found to be highly dependent on both chamber relative humidity (RH) and seed aerosol acidity, likely as a result of particle phase hydrolysis. The particle phase loss of organic nitrates perturbs the gas-particle equilibrium within the system, leading to decreased RONO2 yields in both the gas and particle phases at elevated RH and an apparent non-equilibrium partitioning mechanism. This resulted in smaller apparent partition coefficients of the total organic nitrate species under high chamber RH. The hydrolysis of particle phase organic nitrates at low chamber relative humidity in this study implies that aerosol partitioning of organic nitrates may be an important sink for atmospheric NOx and may have a significant impact on regional air quality.

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Mass Accommodation Coefficients of Phenol, 2-Nitrophenol, and 3-Methylphenol over the Temperature Range 278−298 K

Cited by 16 publications

References 48 publications

Tropospheric multiphase chemistry of 2,5- and 2,6-dimethylphenols: determination of the mass accommodation coefficients and the Henry’s law constants

Tropospheric multiphase chemistry of 2,5- and 2,6-dimethylphenols: determination of the mass accommodation coefficients and the Henry’s law constants

Henry's law constant measurements for phenol, o-, m-, and p-cresol as a function of temperature

Determination of α-pinene-derived organic nitrate yields: particle phase partitioning and hydrolysis

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