Coagulation rate of highly dispersed aerosols

Fuchs, N. A.; Sutugin, A. G.

doi:10.1016/0095-8522(65)90031-0

Cited by 218 publications

(184 citation statements)

References 3 publications

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“…Equations (2a) and (2b) follow from the work of Fuchs & Sutugin 27 , who used Sahni's solution 59 to the Boltzmann equation for non-continuum mass transfer of a point mass to a sphere to infer vapor molecule condensation and evaporation rates to particles. More recently, this equation has been found to agree well with alternative calculation approaches 28 , as well as experimental data 60 .…”

Section: Models Of Neutral and Ion Evaporationmentioning

confidence: 99%

“…Importantly, we show that in comparing experiments, models, and computations, not only is it important to correctly model ion evaporation, but also neutral (solvent) evaporation from nanodrops, as ion evaporation and neutral evaporation occur simultaneously. In the sections that follow we describe the IMS-IMS experiments and MD simulations performed, and present models of neutral and ion evaporation, based on transition regime theory for aerosols 27,28 and the model of Labowsky et al 17 , respectively.…”

Section: Introductionmentioning

confidence: 99%

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Simultaneous ion and neutral evaporation in aqueous nanodrops: experiment, theory, and molecular dynamics simulations

Higashi

Tokumi

Hogan

et al. 2015

Phys. Chem. Chem. Phys.

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We use a combination of tandem ion mobility spectrometry (IMS-IMS, with differential mobility analyzers), molecular dynamics (MD) simulations, and analytical models to examine both neutral solvent (H2O) and ion (solvated Na + ) evaporation from aqueous sodium chloride nanodrops. For experiments, nanodrops were produced via electrospray ionization (ESI) of an aqueous sodium chloride solution. Two nanodrops were examined in MD simulations: a 2,500 water molecule nanodrop with 68 Na + and 60 Cl -ions (an initial net charge of z = +8), and (2) a 1,000 water molecule nanodrop with 65 Na + and 60 Cl -ions (an initial net charge of z = +5). Specifically, we used MD simulations to examine the validity of a model for the neutral evaporation rate incorporating both the Kelvin (surface curvature) and Thomson (electrostatic) influences, while both MD simulations and experimental measurements were compared to predictions of the ion evaporation rate equation of Labowsky et al [Anal Chim Acta, 2000, 406, 105-118]. To within a single fit parameter, we find excellent agreement between simulated and modeled neutral evaporation rates for nanodrops with solute volume fractions below 0.30. Similarly, MD simulation inferred ion evaporation rates are in excellent agreement with predictions based on the Labowsky et al equation. Measurements of the sizes and charge states of ESI generated NaCl clusters suggest that the charge states of these clusters are governed by ion evaporation, however, ion evaporation appears to have occurred with lower activation energies in experiments than was anticipated based on analytical calculations as well as MD simulations. Several possible reasons for this discrepancy are discussed.

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Section: Models Of Neutral and Ion Evaporationmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Simultaneous ion and neutral evaporation in aqueous nanodrops: experiment, theory, and molecular dynamics simulations

Higashi

Tokumi

Hogan

et al. 2015

Phys. Chem. Chem. Phys.

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“…The uptake coefficient is calculated from the rate constant according to (1) where D 0 is the surface-area-weighted mean particle diameter,  i is the component density, M i is the component molecular weight, N A is Avogadro's number, c OH is the mean speed of hydroxyl radicals, and (D 0 ) is the diffusion correction factor 17 . Application of this correction accounts for a 15-30% increase in the calculated uptake coefficients.…”

Section: Oxidation Kineticsmentioning

confidence: 99%

OH-Initiated Heterogeneous Aging of Highly Oxidized Organic Aerosol

et al. 2012

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The oxidative evolution ("aging") of organic species in the atmosphere is thought to have a major influence on the composition and properties of organic particulate matter, but remains poorly understood, particularly for the most oxidized fraction of the aerosol. Here we measure the kinetics and products of the heterogeneous oxidation of highly oxidized organic aerosol, with an aim of better constraining such atmospheric aging processes. Submicron particles composed of model oxidized organics-1,2,3,4-butanetetracarboxylic acid (C 8 H 10 O 8 ), citric acid (C 6 H 8 O 7 ), tartaric acid (C 4 H 6 O 6 ), and Suwannee River fulvic acid-were oxidized by gas-phase OH in a flow reactor, and the masses and elemental composition of the particles were monitored as a function of OH exposure. In contrast to our previous studies of less-oxidized model systems (squalane, erythritol, and levoglucosan), particle mass did not decrease significantly with heterogeneous oxidation. Carbon content of the aerosol always decreased somewhat, but this mass loss was approximately balanced by an increase in oxygen content. The estimated reactive 2 uptake coefficients of the reactions range from 0.37 to 0.51 and indicate that such transformations occur at rates corresponding to 1-2 weeks in the atmosphere, suggesting their importance in the atmospheric lifecycle of organic particulate matter.

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“…where the constant C 3 is given in Appendix A2 from the modified Fuchs-Sutugin equation [Fuchs and Sutugin, 1971]. The condensation process does not change the total particle number density but increase the mass of individual particles.…”

Section: Nucleation and Condensationmentioning

confidence: 99%

“…[57] Condensation rate of H 2 SO 4 (g) to an existing aerosol particle is described using modified Fuchs-Sutugin equation [Fuchs and Sutugin, 1971] where r i is the radius in size bin i, Kn is the Knudsen number and D is the diffusion coefficient of H 2 SO 4 (g) in air and F(Kn) is a coefficient correcting for free molecular effects,…”

Section: A2 Nucleation and Condensation Equationmentioning

confidence: 99%

Canadian Aerosol Module: A size‐segregated simulation of atmospheric aerosol processes for climate and air quality models 1. Module development

Gong¹,

et al. 2003

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[1] A size-segregated multicomponent aerosol algorithm, the Canadian Aerosol Module (CAM), was developed for use with climate and air quality models. It includes major aerosol processes in the atmosphere: generation, hygroscopic growth, coagulation, nucleation, condensation, dry deposition/sedimentation, below-cloud scavenging, aerosol activation, a cloud module with explicit microphysical processes to treat aerosol-cloud interactions and chemical transformation of sulphur species in clear air and in clouds. The numerical solution was optimized to efficiently solve the complicated size-segregated multicomponent aerosol system and make it feasible to be included in global and regional models. An internal mixture is assumed for all types of aerosols except for soil dust and black carbon which are assumed to be externally mixed close to sources. To test the algorithm, emissions to the atmosphere of anthropogenic and natural aerosols are simulated for two aerosol types: sea salt and sulphate. A comparison was made of two numerical solutions of the aerosol algorithm: process splitting and ordinary differential equation (ODE) solver. It was found that the process-splitting method used for this model is within 15% of the more accurate ODE solution for the total sulphate mass concentration and <1% accurate for sea-salt concentration. Furthermore, it is computationally more than 100 times faster. The sensitivity of the simulated size distributions to the number of size bins was also investigated. The diffusional behavior of each individual process was quantitatively characterized by the difference in the mode radius and standard deviation of a lognormal curve fit of distributions between the approximate solution and the 96-bin reference solution. Both the number and mass size distributions were adequately predicted by a sectional model of 12 bins in many situations in the atmosphere where the sink for condensable matter on existing aerosol surface area is high enough that nucleation of new particles is negligible. Total mass concentration was adequately simulated using lower size resolution of 8 bins. However, to properly resolve nucleation mode size distributions and minimize the numerical diffusion, a sectional model of 18 size bins or greater is needed. The number of size bins is more important in resolving the nucleation mode peaks than in reducing the diffusional behavior of aerosol processes. Application of CAM in a study of the global cycling of sea-salt mass accompanies this paper [Gong et al., 2002].

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Coagulation rate of highly dispersed aerosols

Cited by 218 publications

References 3 publications

Simultaneous ion and neutral evaporation in aqueous nanodrops: experiment, theory, and molecular dynamics simulations

Simultaneous ion and neutral evaporation in aqueous nanodrops: experiment, theory, and molecular dynamics simulations

OH-Initiated Heterogeneous Aging of Highly Oxidized Organic Aerosol

Canadian Aerosol Module: A size‐segregated simulation of atmospheric aerosol processes for climate and air quality models 1. Module development

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