Theoretical investigation on the role of mineral dust aerosol in atmospheric reaction: A case of the heterogeneous reaction of formaldehyde with NO 2 onto SiO 2 dust surface

Ji, Yuemeng; Wang, Honghong; Li, Guiying; An, Taicheng

doi:10.1016/j.atmosenv.2014.12.044

Cited by 19 publications

(13 citation statements)

References 45 publications

(49 reference statements)

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Moreover, the distribution of mineral components in dust is naturally inhomogeneous and mineral components may have different particle sizes. , To simplify the problem, we focused on the major dust minerals. Based on numerous studies on dust components, quartz is the major oxide component of mineral dust (40–70%). , In addition, quartz has been reported as a significant component of different dust samples, e.g., see refs , − . Also, feldspars (aluminosilicates) have been shown to contribute considerably to diverse dust samples. ,− These two classes of minerals form more than 80% of the volume of mineral dust .…”

Section: Methodsmentioning

confidence: 99%

“…Accordingly, monosilicic acid (Mcat, Si(OH) 4 ) was chosen as the basic model of mineral dust. To investigate the effect of dust model size on our results, linear trisilicic acid (Tcat, Si 3 O 2 (OH) 8 ) was also considered, as suggested by Ji et al Although silicic acid has been accepted as the best geometrical and chemical model of SiO 2 minerals, ,− the model choices were further validated by comparing their optimized geometries with several quartz, feldspar, and clay crystal structures (see Table S2). Based on the geometrical parameters outlined in this table, both Mcat and Tcat can capture the general geometrical features of silica-based minerals.…”

Section: Methodsmentioning

confidence: 99%

“…To simplify the problem, we focused on the major dust minerals. Based on numerous studies on dust components, quartz is the major oxide component of mineral dust (40% to 70%) 62,63 . In addition, quartz has been reported as a significant component of different dust samples, e.g.…”

Section: Mineral Dust Model Selection and Validationmentioning

confidence: 99%

See 2 more Smart Citations

Computational Study of the Effect of Mineral Dust on Secondary Organic Aerosol Formation by Accretion Reactions of Closed-Shell Organic Compounds

et al. 2019

View full text Add to dashboard Cite

The effect of dust aerosols on accretion reactions of water, formaldehyde and formic acid was studied in the conditions of Earth's troposphere using at the DLPNO-CCSD(T)/aug-cc-pVTZ//ωB97X-D/6-31++G** level of theory. Detailed analysis of the reaction mechanisms in the gas phase and on the surface of mineral dust, represented by mono-and tri-silicic acid, revealed that mineral dust has the potential for decreasing reaction barrier heights. Specifically, at 0 K, mineral dust can lower the apparent energy barrier of the reaction of formaldehyde with formic acid to zero. However, when the entropic contributions to the reaction free energies were accounted for, mineral dust was found to selectively enhance the reaction of water with formaldehyde, while inhibiting the reaction of formaldehyde and formic acid, in the lower parts of the troposphere (with temperatures around 298 K). In the upper troposphere (with temperatures closer to 198 K), mineral dust catalyzes both reactions, and also the reaction of methanol with formic acid. Despite the intrinsic potential of mineral dust, calculation of the catalytic enhancement parameter for a likely range of dust aerosol concentrations suggested that dust aerosols will not contribute to secondary organic aerosol formation via dimerization of closed-shell organic compounds. The main reason for this is the relatively low absolute concentration of tropospheric dust aerosol, and its inefficiency in increasing the effective reaction rate coefficients.

show abstract

Section: Methodsmentioning

confidence: 99%

Section: Methodsmentioning

confidence: 99%

See 1 more Smart Citation

Computational Study of the Effect of Mineral Dust on Secondary Organic Aerosol Formation by Accretion Reactions of Closed-Shell Organic Compounds

et al. 2019

View full text Add to dashboard Cite

show abstract

“…Furthermore, indoor air pollution has become a severe issue affecting human health, and how to remove formaldehyde (HCHO) effectively has attracted increasing attention. The mixed crystals TiO 2 NPs (P25) of rutile and anatase acquired excellent photodegradation performance of HCHO, , but the effective photocatalytic activity of P25 needs to be maintained at high temperatures. − In consideration of multifunctions of inorganic materials, MEPCMs with organic–inorganic hybrid shells can expand their capability because of the functional inorganic pellets embedded into polymeric shells. Although, up to now, some research studies have been reported on the fabrication of hybrid shell MEPCM microcapsules by TiO 2 NPs, wherein the TiO 2 NPs only acted as an inorganic stabilizer that improved the thermal stability and conductivity or UV-shielding. ,− It is well known that TiO 2 NPs as a kind of semiconductor have a preferred photocatalytic activity because of the excellent optical and electronic features, redox ability, nontoxicity, high thermal conductivity, and low price .…”

Section: Introductionmentioning

confidence: 99%

Design and Synthesis of Microencapsulated Phase-Change Materials with a Poly(divinylbenzene)/Dioxide Titanium Hybrid Shell for Energy Storage and Formaldehyde Photodegradation

et al. 2020

View full text Add to dashboard Cite

A novel series of microcapsules with high thermal energy storage (TES) and formaldehyde photodegradation functions was successfully fabricated by eco-friendly Pickering emulsion polymerization without addition of co-emulsifiers. The microcapsules consist of paraffin as the phase-change core material and poly(divinylbenzene) (PDVB)/titanium dioxide nanoparticles (TiO2 NPs) as the hybrid shell. The silane coupling agent KH-570 was used to adjust the hydrophobicity of TiO2 NPs for improving the stability on the oil/water surface. Meanwhile, the effects of the modification degree and addition amount of TiO2 NPs on the morphology of the microcapsules were investigated in detail, where the size of the microcapsule was adjusted from the micron to the submicron scale. The as-fabricated integrated TES system was first verified for the higher potential of formaldehyde photodegradation than that of pure TiO2 NPs under UV lamp irradiation because the microcapsule provides TiO2 NPs with heat to accelerate the catalytic process. Furthermore, the defect that TiO2 NPs are easy to fall off from the microcapsule shell was overcome by anchoring the TiO2 NPs to the PDVB shell with covalent bonds for improving the durability and reliability. The dual-functional microcapsules as the indoor green building materials have a potential application on ambient temperature regulation and indoor air purification.

show abstract

“…Despite the detailed knowledge on the HCHO budget, a substantial discrepancy between field observations and model outputs has been found, both for box and multi-dimensional models 6 – 8 . The discrepancy suggests, in fact, an incomplete understanding of the budget of HCHO, such as the heterogeneous sink of HCHO on aerosols in regions of heavy aerosol loading 8 , 11 – 14 .…”

Section: Introductionmentioning

confidence: 99%

Synergistic effect of nitrate-doped TiO2 aerosols on the fast photochemical oxidation of formaldehyde

Shang

et al. 2017

Sci Rep

View full text Add to dashboard Cite

The uptake of formaldehyde (HCHO) on mineral dust affects its budget as well as particle properties, yet the process has not yet been fully investigate. Here, TiO2 and nitrate-doped TiO2 aerosols were used as proxies for mineral dust, and the uptake of HCHO was explored in a chamber under both dark and illuminated conditions. The uptake loss of HCHO on UV-illuminated aerosols is 2–9 times faster than its gaseous photolysis in our experimental system. The uptake coefficient in the range of 0.43–1.68 × 10−7 is 1–2 orders of magnitude higher than previous reports on model mineral dust particles. The reaction rate exhibits a Langmuir-Hinshelwood-type dependence on nitrate content and relative humidity, suggesting the competitive role of nitrate salts, water vapor and HCHO on the TiO2 surface. The reaction produces carbon dioxide as the main product and gaseous formic acid as an important intermediate. The hydroxyl radical produced on illuminated TiO2 primarily drives the fast oxidation of HCHO. The nitrate radical arising from the TiO2-catalyzed photoreaction of nitrate synergistically promotes the oxidation process. This study suggests a novel oxidation route for HCHO in the atmosphere, taking into account high abundance of both mineral dust and anthropogenic TiO2 aerosols.

show abstract

Theoretical investigation on the role of mineral dust aerosol in atmospheric reaction: A case of the heterogeneous reaction of formaldehyde with NO 2 onto SiO 2 dust surface

Cited by 19 publications

References 45 publications

Computational Study of the Effect of Mineral Dust on Secondary Organic Aerosol Formation by Accretion Reactions of Closed-Shell Organic Compounds

Computational Study of the Effect of Mineral Dust on Secondary Organic Aerosol Formation by Accretion Reactions of Closed-Shell Organic Compounds

Design and Synthesis of Microencapsulated Phase-Change Materials with a Poly(divinylbenzene)/Dioxide Titanium Hybrid Shell for Energy Storage and Formaldehyde Photodegradation

Synergistic effect of nitrate-doped TiO2 aerosols on the fast photochemical oxidation of formaldehyde

Contact Info

Product

Resources

About