Co-adsorption of water and hydrogen on Ni(111)

2008 ◽  
Vol 10 (32) ◽  
pp. 4994 ◽  
Author(s):  
Junjun Shan ◽  
Jacques F. M. Aarts ◽  
Aart W. Kleyn ◽  
Ludo B. F. Juurlink
Keyword(s):  
Co Adsorption ◽  
Adsorption Of Water

Co-adsorption of water and glycine on Cu{110}

2014 ◽  
Vol 16 (13) ◽  
pp. 6101 ◽  
Author(s):  
Marco Sacchi ◽  
Stephen J. Jenkins
Keyword(s):  
Co Adsorption ◽  
Adsorption Of Water

scholarly journals The impact of binary water-CO2 isotherm models on the optimal performance of sorbent-based direct air capture processes.

2021 ◽  
Author(s):  
John Young ◽  
Enrique García-Díez ◽  
Susana Garcia ◽  
Mijndert van der Spek
Keyword(s):  
Energy Consumption ◽  
Co Adsorption ◽  
Process Modelling ◽  
Optimal Performance ◽  
Isotherm Models ◽  
Capture Process ◽  
Direct Air Capture ◽  
Air Capture ◽  
Adsorption Of Water ◽  
The Impact

First, an investigation of the co-adsorption of water and CO<sub>2</sub> onto a benchmark amine-functionalised adsorbent. Following on from this is a detailed process modelling and optimisation study of this sorbents performance in a direct air capture process. Next is a demonstration how the results are affected by the co-adsorption descriptions. Finally, a comparison between the modelled direct air capture process to existing and literature processes to benchmark the energy consumption of direct air capture.

scholarly journals Polydimethyl siloxane/MIL-101 Composites for Enhanced Toluene Adsorption in the Presence of Humidity

2021 ◽  
Author(s):  
Luqman Hakim Mohd Azmi ◽  
Pavani Cherukupally ◽  
Elwin Hunter-Sellars ◽  
Bradley P. Ladewig ◽  
Daryl R. Williams
Keyword(s):  
Vapor Phase ◽  
Co Adsorption ◽  
Deposition Process ◽  
Polydimethyl Siloxane ◽  
Hydrophobicity Index ◽  
Molecular Weights ◽  
Adsorbent Regeneration ◽  
Adsorption Of Water ◽  
And Performance ◽  
The Stability

<div><b>ABSTRACT</b> <br></div><div><br></div><div> Competition between atmospheric moisture and volatile organic compounds (VOCs) for an adsorbent’s sites can significantly impact its VOC removal efficiency. The development of moisture-tolerant adsorbents is essential to address this issue. A vapor phase deposition process using polydimethylsiloxane (PDMS) has created a hydrophobic form of the highly porous, normally hydrophilic, MOF MIL-101. After optimizing the PDMS vapor deposition time and molecular weights, hydrophobicity index calculations verified the improved hydrophobicity of the coated MOF (MIL-PDMS-Sigma-0.25) over its pristine form. The surface area, pore volume as well as single component vapor adsorption of water and toluene capacities were also preserved, resulting to similar performance to MIL-101. Toluene-water vapor co-adsorption experiments were conducted at 40% RH using two toluene concentrations: 0.5% P/P<sub>0</sub> and 10% P/P<sub>0</sub>, mimicking environmental VOC and industrial concentrations, respectively. At 0.5% P/P<sub>0</sub>, MIL-PDMS-Sigma-0.25 exhibited 60% higher adsorption capacity and twice the rate of toluene capture relative to pristine MIL-101, as well as a 3-fold higher toluene uptake relative to a commercial activated carbon. Preliminary adsorbent regeneration experiments confirm the stability and performance of MIL-PDMS-Sigma-0.25. Using a simple vapor phase modification, this new MOF-composite material offers superior competitive toluene vapor uptake in humidified real-world conditions at VOC concentrations. </div>

Adsorption of Gaseous Propylamine on Films of Polypyrrole in Different Oxidation States

1999 ◽  
Vol 64 (1) ◽  
pp. 1-12
Author(s):  
Vítězslav Papež ◽  
Šárka Brodská ◽  
Jan Langmaier ◽  
Zdeněk Samec ◽  
Karin Potje-Kamloth
Keyword(s):  
Work Function ◽  
Gas Phase ◽  
Quartz Crystal ◽  
Co Adsorption ◽  
Polymer Surface ◽  
Water Layer ◽  
Acetonitrile Solution ◽  
Water Vapour Pressure ◽  
Kelvin Probe ◽  
Adsorption Of Water

Quartz crystal microbalance and Kelvin probe were used to investigate the interaction between propylamine (PrNH2) vapour and polypyrrole (PPy) films. The films were prepared by oxidative electropolymerization of pyrrole on a platinum electrode in acetonitrile solution. The nature of interaction is strongly influenced by the oxidation state of the film and co-adsorption of water. On the surface of the oxidized PPy, water adsorbs to form a multilayer. The work function increase of the Pt/PPy electrode exposed to both water and PrNH2 vapoures was attributed to the PrNH2 dissolution and dissociation within the water layer followed by the formatted PrNH3+ cation adsorption on the liquid surface with the alkyl group facing the gas phase. On the contrary, the water adsorption on the reduced PPy is rather weak and the work function decrease observed at the PrNH2 exposure might be connected with the neutral molecules adsorption directly on the polymer surface. The water co-adsorption is documented by a drop in the adsorption of PrNH2 upon lowering the water vapour pressure in the gas phase.

scholarly journals Polydimethyl siloxane/MIL-101 Composites for Enhanced Toluene Adsorption in the Presence of Humidity

2021 ◽  
Author(s):  
Luqman Hakim Mohd Azmi ◽  
Pavani Cherukupally ◽  
Elwin Hunter-Sellars ◽  
Bradley P. Ladewig ◽  
Daryl R. Williams
Keyword(s):  
Vapor Phase ◽  
Co Adsorption ◽  
Deposition Process ◽  
Polydimethyl Siloxane ◽  
Hydrophobicity Index ◽  
Molecular Weights ◽  
Adsorbent Regeneration ◽  
Adsorption Of Water ◽  
And Performance ◽  
The Stability

<div><b>ABSTRACT</b> <br></div><div><br></div><div> Competition between atmospheric moisture and volatile organic compounds (VOCs) for an adsorbent’s sites can significantly impact its VOC removal efficiency. The development of moisture-tolerant adsorbents is essential to address this issue. A vapor phase deposition process using polydimethylsiloxane (PDMS) has created a hydrophobic form of the highly porous, normally hydrophilic, MOF MIL-101. After optimizing the PDMS vapor deposition time and molecular weights, hydrophobicity index calculations verified the improved hydrophobicity of the coated MOF (MIL-PDMS-Sigma-0.25) over its pristine form. The surface area, pore volume as well as single component vapor adsorption of water and toluene capacities were also preserved, resulting to similar performance to MIL-101. Toluene-water vapor co-adsorption experiments were conducted at 40% RH using two toluene concentrations: 0.5% P/P<sub>0</sub> and 10% P/P<sub>0</sub>, mimicking environmental VOC and industrial concentrations, respectively. At 0.5% P/P<sub>0</sub>, MIL-PDMS-Sigma-0.25 exhibited 60% higher adsorption capacity and twice the rate of toluene capture relative to pristine MIL-101, as well as a 3-fold higher toluene uptake relative to a commercial activated carbon. Preliminary adsorbent regeneration experiments confirm the stability and performance of MIL-PDMS-Sigma-0.25. Using a simple vapor phase modification, this new MOF-composite material offers superior competitive toluene vapor uptake in humidified real-world conditions at VOC concentrations. </div>

scholarly journals The impact of binary water-CO2 isotherm models on the optimal performance of sorbent-based direct air capture processes.

2021 ◽  
Author(s):  
John Young ◽  
Enrique García-Díez ◽  
Susana Garcia ◽  
Mijndert van der Spek
Keyword(s):  
Energy Consumption ◽  
Co Adsorption ◽  
Process Modelling ◽  
Optimal Performance ◽  
Isotherm Models ◽  
Capture Process ◽  
Direct Air Capture ◽  
Air Capture ◽  
Adsorption Of Water ◽  
The Impact

First, an investigation of the co-adsorption of water and CO<sub>2</sub> onto a benchmark amine-functionalised adsorbent. Following on from this is a detailed process modelling and optimisation study of this sorbents performance in a direct air capture process. Next is a demonstration how the results are affected by the co-adsorption descriptions. Finally, a comparison between the modelled direct air capture process to existing and literature processes to benchmark the energy consumption of direct air capture.

A First-Principles Computational Comparison of the Aqueous Anatase TiO2 (001) Interface and the Disordered, Fluorinated TiO2 Interface

2018 ◽  
Author(s):  
Kyle Reeves ◽  
Damien Dambournet ◽  
Christel Laberty-Robert ◽  
Rodolphe Vuilleumier ◽  
Mathieu Salanne
Keyword(s):  
Density Of States ◽  
Density Functional ◽  
Water Dissociation ◽  
Water Molecules ◽  
Chemical Doping ◽  
Charge Balance ◽  
Functional Theory ◽  
Adsorption Of Water ◽  
Properties Of Materials ◽  
Computational Comparison

Chemical doping and other surface modifications have been used to engineer the bulk properties of materials, but their influence on the surface structure and consequently the surface chemistry are often unknown. Previous work has been successful in fluorinating anatase TiO<sub>2</sub> with charge balance achieved via the introduction of Ti vacancies rather than the reduction of Ti. Our work here investigates the interface between this fluorinated titanate with cationic vacancies and a<br>monolayer of water via density functional theory based molecular dynamics. We compute the projected density of states for only those atoms at the interface and for those states that fall within 1eV of the Fermi energy for various steps throughout the simulation, and we determine that the<br>variation in this representation of the density of states serves as a reasonable tool to anticipate where surfaces are most likely to be reactive. In particular, we conclude that water dissociation at the surface is the main mechanism that influences the anatase (001) surface whereas the change in<br>the density of states at the surface of the fluorinated structure is influenced primarily through the adsorption of water molecules at the surface.

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