Zhang H Z, Davidovits P, Williams L R, Kolb C E, Worsnop D R
Chemistry Department, Boston College, Chestnut Hill, Massachusetts 02467, USA.
J Phys Chem A. 2005 May 5;109(17):3941-9. doi: 10.1021/jp050323n.
Organic compounds are a significant component of tropospheric aerosols. In the present study, 1-methylnaphthalene was selected as a surrogate for aromatic hydrocarbons (PAHs) found in tropospheric aerosols. Mass accommodation coefficients (alpha) on 1-methylnaphthalene were determined as a function of temperature (267 K to 298 K) for gas-phase m-xylene, ethylbenzene, butylbenzene, alpha-pinene, gamma-terpinene, p-cymene, and 2-methyl-2-hexanol. The gas uptake studies were performed with droplets maintained under liquid-vapor equilibrium conditions using a droplet train flow reactor. The mass accommodation coefficients for all of the molecules studied in these experiments exhibit negative temperature dependence. The upper and lower values of alpha at 267 and 298 K respectively are as follows: for m-xylene 0.44 +/- 0.05 and 0.26 +/- 0.03; for ethylbenzene 0.37 +/- 0.03 and 0.22 +/- 0.04; for butylbenzene 0.47 +/- 0.06 and 0.31 +/- 0.04; for alpha-pinene 0.47 +/- 0.07 and 0.10 +/- 0.05; for gamma-terpinene 0.37 +/- 0.04 and 0.12 +/- 0.06; for p-cymene 0.74 +/- 0.05 and 0.36 +/- 0.07; for 2-methyl-2-hexanol 0.44 +/- 0.06 and 0.29 +/- 0.06. The uptake measurements also yielded values for the product HD(l)(1/2) for most of the molecules studied (H = Henry's law constant, D(l) = liquid-phase diffusion coefficient). Using calculated values of D(l), the Henry's law constants (H) for these molecules were obtained as a function of temperature. The H values at 298 K in units 10(3) M atm(-1) are as follows: for m-xylene (0.48 +/- 0.05); for ethylbenzene (0.50 +/- 0.08); for butylbenzene (3.99 +/- 0.93); for alpha-pinene (0.53 +/- 0.07); for p-cymene (0.23 +/- 0.07); for 2-methyl-2-hexanol (1.85 +/- 0.29).
有机化合物是对流层气溶胶的重要组成部分。在本研究中,选择1-甲基萘作为对流层气溶胶中发现的芳烃(PAHs)的替代物。测定了气相间二甲苯、乙苯、丁苯、α-蒎烯、γ-萜品烯、对伞花烃和2-甲基-2-己醇在1-甲基萘上的质量吸收系数(α)随温度(267 K至298 K)的变化。使用液滴串流反应器在液-气平衡条件下对液滴进行气体吸收研究。这些实验中研究的所有分子的质量吸收系数均呈现负温度依赖性。在267 K和298 K时α的上下值分别如下:间二甲苯为0.44±0.05和0.26±0.03;乙苯为0.37±0.03和0.22±0.04;丁苯为0.47±0.06和0.31±0.04;α-蒎烯为0.47±0.07和0.10±0.05;γ-萜品烯为0.37±0.04和0.12±0.06;对伞花烃为0.74±0.05和0.36±0.07;2-甲基-2-己醇为0.44±0.06和0.29±0.06。吸收测量还得出了所研究的大多数分子的产物HD(l)(1/2)的值(H =亨利定律常数,D(l) =液相扩散系数)。利用计算得到的D(l)值,获得了这些分子的亨利定律常数(H)随温度的变化情况。298 K时以10(3) M atm(-1)为单位的H值如下:间二甲苯(0.48±0.05);乙苯(0.50±0.08);丁苯(3.99±0.93);α-蒎烯(0.53±0.07);对伞花烃(0.23±0.07);2-甲基-2-己醇(1.85±0.29)。