Model calculations of tunnelling and thermal evaporation rate constants relating to eveporation

Vacuum ◽  
1985 ◽  
Vol 35 (6) ◽  
pp. 226
2016 ◽  
Vol 16 (3) ◽  
pp. 1245-1254 ◽  
Author(s):  
T. P. Riedel ◽  
Y.-H. Lin ◽  
Z. Zhang ◽  
K. Chu ◽  
J. A. Thornton ◽  
...  

Abstract. Isomeric epoxydiols from isoprene photooxidation (IEPOX) have been shown to produce substantial amounts of secondary organic aerosol (SOA) mass and are therefore considered a major isoprene-derived SOA precursor. Heterogeneous reactions of IEPOX on atmospheric aerosols form various aerosol-phase components or "tracers" that contribute to the SOA mass burden. A limited number of the reaction rate constants for these acid-catalyzed aqueous-phase tracer formation reactions have been constrained through bulk laboratory measurements. We have designed a chemical box model with multiple experimental constraints to explicitly simulate gas- and aqueous-phase reactions during chamber experiments of SOA growth from IEPOX uptake onto acidic sulfate aerosol. The model is constrained by measurements of the IEPOX reactive uptake coefficient, IEPOX and aerosol chamber wall losses, chamber-measured aerosol mass and surface area concentrations, aerosol thermodynamic model calculations, and offline filter-based measurements of SOA tracers. By requiring the model output to match the SOA growth and offline filter measurements collected during the chamber experiments, we derive estimates of the tracer formation reaction rate constants that have not yet been measured or estimated for bulk solutions.


2015 ◽  
Vol 15 (20) ◽  
pp. 28289-28316 ◽  
Author(s):  
T. P. Riedel ◽  
Y.-H. Lin ◽  
Z. Zhang ◽  
K. Chu ◽  
J. A. Thornton ◽  
...  

Abstract. Isomeric epoxydiols from isoprene photooxidation (IEPOX) have been shown to produce substantial amounts of secondary organic aerosol (SOA) mass and are therefore considered a major isoprene-derived SOA precursor. Heterogeneous reactions of IEPOX on atmospheric aerosols form various aerosol-phase components or "tracers" that contribute to the SOA mass burden. A limited number of the reaction rate constants for these acid-catalyzed aqueous-phase tracer formation reactions have been constrained through bulk laboratory measurements. We have designed a chemical box model with multiple experimental constraints to explicitly simulate gas- and aqueous-phase reactions during chamber experiments of SOA growth from IEPOX uptake onto acidic sulfate aerosol. The model is constrained by measurements of the IEPOX reactive uptake coefficient, IEPOX and aerosol chamber wall-losses, chamber-measured aerosol mass and surface area concentrations, aerosol thermodynamic model calculations, and offline filter-based measurements of SOA tracers. By requiring the model output to match the SOA growth and offline filter measurements collected during the chamber experiments, we derive estimates of the tracer formation reaction rate constants that have not yet been measured or estimated for bulk solutions.


2004 ◽  
Vol 112 (1) ◽  
pp. 14-18 ◽  
Author(s):  
C.B. Lee ◽  
A. Uddin ◽  
X. Hu ◽  
T.G. Anderssonb

2012 ◽  
Vol 134 (5) ◽  
Author(s):  
Wei Xu ◽  
Chang-Hwan Choi

In this paper, the evaporation kinetics of microliter-sized sessile droplets of gold colloids (∼250 nm in particle diameters) was experimentally studied on micropatterned superhydrophobic surfaces, compared with those of pure water on a planar hydrophobic surface. The structural microtopography of superhydrophobic surfaces was designed to have a constant air fraction (∼0.8) but varying array patterns including pillars, lines, and wells. During evaporation in a room condition, the superhydrophobic surfaces exhibited a stronger pinning effect than a planar surface, especially in the initial evaporation stage, with significant variations by the surface topographies. Compared to a pure water droplet, colloids exhibited further promoted pinning effects, mainly in the later stage of evaporation. While the well-known evaporative mass transport law of sessile droplets (i.e., linear law of “V2/3∝t”) was generally applicable to the superhydrophobic surfaces, much smaller evaporation rate constants were measured on the patterned superhydrophobic surfaces than on a planar hydrophobic surface. A colloidal droplet further showed lower evaporation rate constants than a pure water droplet as the concentration of particles in the droplets increased over the evaporation. Such transition was more dramatic on a planar surface than on the micropatterned surfaces. Whereas there was no clear correlation between evaporation mode and the evaporation rate observed on the superhydrophobic surfaces, the prominent decrease of the evaporation rate on the planar hydrophobic surface was accompanied with the onset of a second pinning mode.


Separations ◽  
2018 ◽  
Vol 5 (4) ◽  
pp. 47 ◽  
Author(s):  
John McIlroy ◽  
Ruth Smith ◽  
Victoria McGuffin

Forensic fire debris analysis focuses on the identification of a foreign ignitable liquid in debris collected from the scene of a suspected intentional fire. Chromatograms of the extracted debris are compared to a suitable reference collection containing chromatograms of unevaporated and evaporated ignitable liquids. However, there is no standardized method for the evaporation of ignitable liquids and the process itself can be time consuming, which limits the number of chromatograms of evaporated liquids included in the reference collection. This work describes the development and application of a variable-temperature kinetic model to predict evaporation rate constants and mathematically predict chromatograms corresponding to evaporated ignitable liquids. First-order evaporation rate constants were calculated for 78 selected compounds in diesel, which were used to develop predictive models of evaporation rates. Fixed-temperature models were developed to predict the rate constants at five temperatures (5, 10, 20, 30, 35 °C), yielding a mean absolute percent error (MAPE) of 10.0%. The variable-temperature model was then created from these data by multiple linear regression, yielding a MAPE of 16.4%. The model was applied to generate a reference collection of predicted chromatograms of diesel and kerosene corresponding to a range of evaporation levels. Using the modeled reference collection, successful identification of the liquid and level of evaporation in a test set of chromatograms was demonstrated.


2002 ◽  
Vol 721 ◽  
Author(s):  
Oleg V. Kononenko ◽  
Alexandra V. Andreeva ◽  
Alexandr I. Il'in

AbstractThe present work deals with investigation of the initial stages of growth of (Bi, Bi-Sb) films deposited by the methods of different degrees of nonequilibrium, such as thermal evaporation (TE) and self-ion assisted deposition (SIAD). The comparative analysis of growth mechanisms and film island evolution (faceting and coalescence) was carried out depending on the type (crystalline, amorphous) and temperature of substrate, evaporation rate, film composition, etc. Ion bombardment during deposition leads to films of higher density and reduced porosity, and greater stability than those deposited without bombardment. As compared with the pure Bi films the facetted island morphology of the SIAD Bi–Sb (20%) films is not so clear. This is explained by partial realization of the coalescence process by the liquid fluidity mechanism. At all substrate temperatures the grain orientation (111) R is more pronounced for SIAD films than for the TE films.


2007 ◽  
Vol 43 (1) ◽  
pp. 90-93
Author(s):  
T. I. Goglidze ◽  
I. V. Dement’ev ◽  
V. M. Ishimov ◽  
E. A. Senokosov

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