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Relevant bibliographies by topics / Gas adsorption and selectivity

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Journal articles

Academic literature on the topic 'Gas adsorption and selectivity'

Author: Grafiati

Published: 6 September 2023

Last updated: 7 September 2023

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Journal articles on the topic "Gas adsorption and selectivity"

1

Jiang, Weile, Yong Xia, Aifei Pan, et al. "Facet-Dependent Gas Adsorption Selectivity on ZnO: A DFT Study." Chemosensors 10, no. 10 (2022): 436. http://dx.doi.org/10.3390/chemosensors10100436.

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Semiconductor-based gas sensors are of great interest in both industrial and research settings, but poor selectivity has hindered their further development. Current efforts including doping, surface modifications and facet controlling have been proved effective. However, the “methods-selectivity” correlation is ambiguous because of uncontrollable defects and surface states during the experiments. Here, as a case study, using a DFT method, we studied the adsorption features of commonly tested gases—CH2O, H2, C2H5OH, CH3COCH3, and NH3—on facets of ZnO(0001¯), ZnO(101¯0) and ZnO(101¯1). The adsorption energies and charge transfers were calculated, and adsorption selectivity was analyzed. The results show ZnO(0001¯) has obvious CH2O adsorption selectivity; ZnO(101¯0) has a slight selectivity to C2H5OH and NH3; and ZnO(101¯1) has a slight selectivity to H2, which agrees with the experimental results. The mechanism of the selective adsorption features was studied in terms of polarity, geometric matching and electronic structure matching. The results show the adsorption selectivity is attributed to a joint effort of electronic structure matching and geometric matching: the former allows for specific gas/slab interactions, the latter decides the strength of the interactions. As the sensing mechanism is probably dominated by gas–lattice interactions, this work is envisioned to be helpful in designing new sensing material with high selectivity.

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2

Chan Wai, Hoong, Mohd Noor Mazlee, Zainal Arifin Ahmad, Shamsul Baharin Jamaludin, Mohd Azlan Mohd Ishak, and Muhammad Shahar Jusoh. "Sustainable Porous Materials for Gas Adsorption Applications; A Concise Review." Advanced Materials Research 795 (September 2013): 96–101. http://dx.doi.org/10.4028/www.scientific.net/amr.795.96.

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Many new sustainable porous materials were developed for gas adsorption applications. Common materials such as activated carbon, clay materials and metal organic framework (MOF) that utilized as potential porous adsorption materials were studied. The article was also discussed on the fabrication methods of porous materials. Adsorptions of flue gas using porous materials were reviewed. It was found that the adsorption properties of porous materials were highly dependent on surface area, selectivity and impregnation. Low cost porous adsorbents such as clay and fly ash were also reviewed as potential and cost effective materials to be used in industries.

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3

He, Jiating, and Xu Li. "Metal–Organic Framework for Selective Gas Scavenging." Journal of Molecular and Engineering Materials 04, no. 04 (2016): 1640014. http://dx.doi.org/10.1142/s2251237316400141.

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Selective gas adsorption plays an important role in adsorptive separation of gases and scavenging unfavorable or hazardous gases. The use of cost-effective and environmentally friendly materials for selective gas adsorption has become one of the most pressing needs today. The development of new adsorbents is essential but difficult due to the selectivity and efficiency requirements for practical application. As potential scavengers, metal–organic frameworks (MOFs) have drawn great attention. In this review, the current progress of science and technology development of MOFs on selective gas scavenging will be highlighted. Future perspectives for exploring MOFs for practical application will also be put forward.

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4

Parinyakit, Supatsorn, and Patcharin Worathanakul. "Static and Dynamic Simulation of Single and Binary Component Adsorption of CO2 and CH4 on Fixed Bed Using Molecular Sieve of Zeolite 4A." Processes 9, no. 7 (2021): 1250. http://dx.doi.org/10.3390/pr9071250.

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The simulation of carbon dioxide (CO2)-methane (CH4) mixed gas adsorption and the selectivity on zeolite 4A using Aspen Adsorption were studied. The influence of temperature ranging from 273 to 343 K, pressure up to 10 bar and various compositions of CO2 in the binary system were simulated. The findings of the study demonstrate that the models are accurate. In addition, the effects of various key parameters such as temperature, pressure, and various compositions of binary gases were investigated. The highest CO2 and CH4 adsorption are found at 273 K and 10 bar in the Langmuir isotherm model with 5.86 and 2.88 mmol/g, respectively. The amount of CO2 adsorbed and the selectivity of the binary mixture gas depends on the composition of CO2. The kinetics of adsorption for pure components of CO2 at high temperatures can reach saturation faster than CH4. The influence of the physical properties of zeolite 4A on kinetic adsorption were also studied, and it was observed that small adsorbent particles, large pore diameter, and large pore volume would enter saturation quickly. The prediction of CO2-CH4 mixed gas adsorption and selectivity on zeolite 4A were developed for further use for commercial gas separation.

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5

Wu, Chin-Wen, and Shivaji Sircar. "Comments on binary and ternary gas adsorption selectivity." Separation and Purification Technology 170 (October 2016): 453–61. http://dx.doi.org/10.1016/j.seppur.2016.06.053.

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6

Dutta, Sujeet, Ronan Lefort, Denis Morineau, et al. "Thermodynamics of binary gas adsorption in nanopores." Physical Chemistry Chemical Physics 18, no. 35 (2016): 24361–69. http://dx.doi.org/10.1039/c6cp01587e.

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7

Dubskikh, Vadim A., Konstantin A. Kovalenko, Anton S. Nizovtsev, et al. "Enhanced Adsorption Selectivity of Carbon Dioxide and Ethane on Porous Metal–Organic Framework Functionalized by a Sulfur-Rich Heterocycle." Nanomaterials 12, no. 23 (2022): 4281. http://dx.doi.org/10.3390/nano12234281.

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Porous metal–organic framework [Zn2(ttdc)2(bpy)] (1) based on thieno[3,2‑b]thiophenedicarboxylate (ttdc) was synthesized and characterized. The structure contains intersected zig-zag channels with an average aperture of 4 × 6 Å and a 49% (v/v) guest-accessible pore volume. Gas adsorption studies confirmed the microporous nature of 1 with a specific surface area (BET model) of 952 m2·g–1 and a pore volume of 0.37 cm3·g–1. Extensive CO2, N2, O2, CO, CH4, C2H2, C2H4 and C2H6 gas adsorption experiments at 273 K and 298 K were carried out, which revealed the great adsorption selectivity of C2H6 over CH4 (IAST selectivity factor 14.8 at 298 K). The sulfur-rich ligands and double framework interpenetration in 1 result in a dense decoration of the inner surface by thiophene heterocyclic moieties, which are known to be effective secondary adsorption sites for carbon dioxide. As a result, remarkable CO2 adsorption selectivities were obtained for CO2/CH4 (11.7) and CO2/N2 (27.2 for CO2:N2 = 1:1, 56.4 for CO2:N2 = 15:85 gas mixtures). The computational DFT calculations revealed the decisive role of the sulfur-containing heterocycle moieties in the adsorption of CO2 and C2H6. High CO2 adsorption selectivity values and a relatively low isosteric heat of CO2 adsorption (31.4 kJ·mol–1) make the porous material 1 a promising candidate for practical separation of biogas as well as for CO2 sequestration from flue gas or natural gas.

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8

Ismail, Marhaina, Mohamad Azmi Bustam, Nor Ernie Fatriyah Kari, and Yin Fong Yeong. "Ideal Adsorbed Solution Theory (IAST) of Carbon Dioxide and Methane Adsorption Using Magnesium Gallate Metal-Organic Framework (Mg-gallate)." Molecules 28, no. 7 (2023): 3016. http://dx.doi.org/10.3390/molecules28073016.

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Ideal Adsorbed Solution Theory (IAST) is a predictive model that does not require any mixture data. In gas purification and separation processes, IAST is used to predict multicomponent adsorption equilibrium and selectivity based solely on experimental single-component adsorption isotherms. In this work, the mixed gas adsorption isotherms were predicted using IAST calculations with the Python package (pyIAST). The experimental CO2 and CH4 single-component adsorption isotherms of Mg-gallate were first fitted to isotherm models in which the experimental data best fit the Langmuir model. The presence of CH4 in the gas mixture contributed to a lower predicted amount of adsorbed CO2 due to the competitive adsorption among the different components. Nevertheless, CO2 adsorption was more favorable and resulted in a higher predicted adsorbed amount than CH4. Mg-gallate showed a stronger affinity for CO2 molecules and hence contributed to a higher CO2 adsorption capacity even with the coexistence of a CO2/CH4 mixture. Very high IAST selectivity values for CO2/CH4 were obtained which increased as the gas phase mole fraction of CO2 approached unity. Therefore, IAST calculations suggest that Mg-gallate can act as a potential adsorbent for the separation of CO2/CH4 mixed gas.

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9

Zhang, Xiaoxing, Rongxing Fang, Dachang Chen та Guozhi Zhang. "Using Pd-Doped γ-Graphyne to Detect Dissolved Gases in Transformer Oil: A Density Functional Theory Investigation". Nanomaterials 9, № 10 (2019): 1490. http://dx.doi.org/10.3390/nano9101490.

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To realize a high response and high selectivity gas sensor for the detection dissolved gases in transformer oil, in this study, the adsorption of four kinds of gases (H2, CO, C2H2, and CH4) on Pd-graphyne was investigated, and the gas sensing properties were evaluated. The energetically-favorable structure of Pd-Doped γ-graphyne was first studied, including through a comparison of different adsorption sites and a discussion of the electronic properties. Then, the adsorption of these four molecules on Pd-graphyne was explored. The adsorption structure, adsorption energy, electron transfer, electron density distribution, band structure, and density of states were calculated and analyzed. The results show that Pd prefers to be adsorbed on the middle of three C≡C bonds, and that the band gap of γ-graphyne becomes smaller after adsorption. The CO adsorption exhibits the largest adsorption energy and electron transfer, and effects an obvious change to the structure and electronic properties to Pd-graphyne. Because of the conductance decrease after adsorption of CO and the acceptable recovery time at high temperatures, Pd-graphyne is a promising gas sensing material with which to detect CO with high selectivity. This work offers theoretical support for the design of a nanomaterial-based gas sensor using a novel structure for industrial applications.

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10

Pan, Sudip, Ranajit Saha, Subhajit Mandal, et al. "Selectivity in Gas Adsorption by Molecular Cucurbit[6]uril." Journal of Physical Chemistry C 120, no. 26 (2016): 13911–21. http://dx.doi.org/10.1021/acs.jpcc.6b02545.

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