Coverage-dependent adsorption and dissociation of H<sub>2</sub>O on Al surfaces

Hai, Pengqi; Wu, Chao; Ding, Xiangdong; Li, Yuanjie

doi:10.1039/d2cp04386f

Phys. Chem. Chem. Phys.

2023

DOI: 10.1039/d2cp04386f

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Coverage-dependent adsorption and dissociation of H₂O on Al surfaces

Pengqi Hai

Chao Wu

Xiangdong Ding

et al.

Abstract: The adsorption and dissociation of H2O on Al surfaces including crystal planes and nanoparticles (ANPs) are systematically investigated by using density functional theory (DFT) calculations. H2O adsorption strength follows the...

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2024

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Severe plastic deformation for producing superfunctional ultrafine-grained and heterostructured materials: An interdisciplinary review

Edalati,

Ahmed,

Akrami

et al. 2024

Journal of Alloys and Compounds

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Severe plastic deformation for producing superfunctional ultrafine-grained and heterostructured materials: An interdisciplinary review

Edalati,

Ahmed,

Akrami

et al. 2024

Journal of Alloys and Compounds

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Desorption lifetimes and activation energies influencing gas–surface interactions and multiphase chemical kinetics

Knopf,

Ammann,

Berkemeier

et al. 2024

Atmos. Chem. Phys.

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Abstract. Adsorption and desorption of gases on liquid or solid substrates are involved in multiphase processes and heterogeneous chemical reactions. The desorption energy (Edes0), which depends on the intermolecular forces between adsorbate and substrate, determines the residence time of chemical species at interfaces. We show how Edes0 and temperature influence the net uptake or release of gas species, the rates of surface–bulk exchange and surface or bulk reactions, and the equilibration timescales of gas–particle partitioning. Using literature data, we derive a parameterization to estimate Edes0 for a wide range of chemical species based on the molecular mass, polarizability, and oxygen-to-carbon ratio of the desorbing species independent of substrate-specific properties, which is possible because of the dominant role of the desorbing species' properties. Correlations between Edes0 and the enthalpies of vaporization and solvation are rooted in molecular interactions. The relation between Edes0 and desorption kinetics reflects the key role of interfacial exchange in multiphase processes. For small molecules and semi-volatile organics (VOC, IVOC, SVOC), Edes0 values around 10–100 kJ mol−1 correspond to desorption lifetimes around nanoseconds to days at room temperature. Even higher values up to years are obtained at low temperatures and for low volatile organic compounds (LVOC, ELVOC/ULVOC) relevant for secondary organic aerosols (SOA). Implications are discussed for SOA formation, gas–particle partitioning, organic phase changes, and indoor surface chemistry. We expect these insights to advance the mechanistic and kinetic understanding of multiphase processes in atmospheric and environmental physical chemistry, aerosol science, materials science, and chemical engineering.

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Coverage-dependent adsorption and dissociation of H₂O on Al surfaces

Abstract: The adsorption and dissociation of H2O on Al surfaces including crystal planes and nanoparticles (ANPs) are systematically investigated by using density functional theory (DFT) calculations. H2O adsorption strength follows the...

Cited by 2 publications

References 41 publications

Severe plastic deformation for producing superfunctional ultrafine-grained and heterostructured materials: An interdisciplinary review

Severe plastic deformation for producing superfunctional ultrafine-grained and heterostructured materials: An interdisciplinary review

Desorption lifetimes and activation energies influencing gas–surface interactions and multiphase chemical kinetics

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Coverage-dependent adsorption and dissociation of H2O on Al surfaces

Abstract: The adsorption and dissociation of H2O on Al surfaces including crystal planes and nanoparticles (ANPs) are systematically investigated by using density functional theory (DFT) calculations. H2O adsorption strength follows the...

Cited by 2 publications

References 41 publications

Severe plastic deformation for producing superfunctional ultrafine-grained and heterostructured materials: An interdisciplinary review

Severe plastic deformation for producing superfunctional ultrafine-grained and heterostructured materials: An interdisciplinary review

Desorption lifetimes and activation energies influencing gas–surface interactions and multiphase chemical kinetics

Contact Info

Product

Resources

About

Coverage-dependent adsorption and dissociation of H₂O on Al surfaces