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Journal articles on the topic 'Chemisorptions'

Author: Grafiati

Published: 3 June 2025

Last updated: 31 July 2025

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1

Song, Yun Peng, Yan He, and Yuan Zheng Tang. "Molecular Dynamic Study on Thermal Conductivity of Methyl-Chemisorption Carbon Nanotubes." Advanced Materials Research 1096 (April 2015): 520–23. http://dx.doi.org/10.4028/www.scientific.net/amr.1096.520.

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The thermal conductivity at 300K of (6, 6) carbon nanotubes and chemi-adsorbed carbon nanotubes with methyl groups at random positions through covalent bonding (chemisorption) has been calculated as a function of adsorption density using molecular dynamics. The results exhibit a rapid drop in thermal conductivity with chemisorptions, even chemisorption as little as 1.0% of the nanotube carbon atoms reduces the thermal conductivity significantly. Investigate its reason, defects caused by chemisorption blocking the transmission of phonons which plays a leading role in the heat conduction of nano

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2

Zhang, Ying Tang, and Jun Fang Wu. "The Characteristics of Chemisorptions on Si (001) Surface." Applied Mechanics and Materials 723 (January 2015): 972–75. http://dx.doi.org/10.4028/www.scientific.net/amm.723.972.

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The characteristics of chemisorptions, such as the pseudogap, forbidden bandwidth, energy curve, the trend of Fermi level in the graphics and the density of states at the Fermi level and so on, were given for the chemisorptions of atom on the Si (001) surface from the density of states. From these densities of states’ curves, the characteristics of chemisorptions were analyzed and compared to for different elements absorption on the Si (001) surface. The density of states for chemisorptions is different for the different elements.

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3

Tournayan, L., A. Auroux, H. Charcosset, and R. Szymanski. "Hydrogen and Oxygen Chemisorptions and Titrations by Platinum on Zirconia Catalysts Reduced between 673 and 1273 K." Adsorption Science & Technology 2, no. 2 (1985): 55–68. http://dx.doi.org/10.1177/026361748500200201.

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Some 10 wt % Pt supported on zirconia catalysts were investigated by hydrogen and oxygen chemisorptions and titrations by means of automated catharometric equipment (frontal method). Microcalorimetry was further used to determine the heats of oxygen chemisorption. The temperature of reduction by hydrogen, TR, was varied between 673 and 1273 K. At 673 K, the H and O coverages of Pt were about the same as for Pt supported on SiO2 (Euro Pt catalyst). The increase in TR from 673 to 873 K was accompanied by a strong decrease of the hydrogen to oxygen chemisorption ratio. It is proposed that this is

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4

Sutapa, I. Wayan, Ria Armunanto, and Karna Wijaya. "EFFECT OF SCANDIUM ON HIDROGEN DISSOCIATION ENERGY AT MAGNESIUM SURFACE: AB INITIO DFT STUDY." Indonesian Journal of Chemistry 10, no. 2 (2010): 184–88. http://dx.doi.org/10.22146/ijc.21458.

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The dissociative chemisorption of hydrogen on both pure and Sc-incorporated Mg(0001) surfaces have been studied by ab initio density functional theory (DFT) calculation. The calculated dissociation energy of hydrogen molecule on a pure Mg(0001) surface (1.200 eV) is in good agreement with comparable theoretical studies. For the Sc-incorporated Mg(0001) surface, the activated barrier decreases to 0.780 eV due to the strong interaction between the molecular orbital of hydrogen and the d metal state of Sc. This could explain the experimentally observed improvement in absorption kinetics of hydrog

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5

Ali, Sardar, Noor Asmawati Mohd Zabidi, and Duvvuri Subbarao. "Synthesis and Characterization of Bimetallic Fe/Co Nanocatalyst on CNTs for Fischer-Tropsch Reaction." Journal of Nano Research 16 (January 2012): 9–14. http://dx.doi.org/10.4028/www.scientific.net/jnanor.16.9.

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Cobalt and iron are common catalysts used in the Fischer-Tropsch (FT) reaction. This paper presents the synthesis and characterization of monometallic and bimetallic cobalt and iron nanoparticles supported on carbon nanotubes (CNTs). The CNTs-supported nanocatalysts were synthesized by a wet impregnation method at various ratios of Fe:Co. The physicochemical properties of the samples were analyzed by H2-temperature programmed reduction (TPR), CO and H2-chemisorption analyses, transmission electron microscopy (TEM) and X-ray diffraction (XRD) analysis. The effects of incorporation of Fe into Co

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6

Wu, Jun Fang. "The Density of States for Chemisorptions on Si (111) Surface." Advanced Materials Research 1061-1062 (December 2014): 315–18. http://dx.doi.org/10.4028/www.scientific.net/amr.1061-1062.315.

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The density of states was given for the chemisorptions of atom on the Si (111) surface. From these curves, the characteristics, such as the pseudogap, forbidden bandwidth, energy curve, the trend of Fermi level in the graphics and the density of states at the Fermi level and so on, were analyzed and compared to for different elements absorption on the Si (111) surface. The density of states for chemisorptions is different for the different elements.

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7

Jiang, P. H., H. J. Liu, D. D. Fan, et al. "Enhanced thermoelectric performance of carbon nanotubes at elevated temperature." Physical Chemistry Chemical Physics 17, no. 41 (2015): 27558–64. http://dx.doi.org/10.1039/c5cp04282h.

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8

Cárdenas Cortez, Olda Alexia, José de Jesús Pérez Bueno, Yolanda Casados Mexicano, et al. "CoO, Cu, and Ag Nanoparticles on Silicon Nanowires with Photocatalytic Activity for the Degradation of Dyes." Sustainability 14, no. 20 (2022): 13361. http://dx.doi.org/10.3390/su142013361.

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Photocatalytic semiconductors require maintaining stability and pursuing higher efficiencies. The studied systems were silicon nanowires (SiNWs), silicon nanowires with cobalt oxide nanoparticles (SiNWs-CoONPs), and silicon nanowires with copper nanoparticles (SiNWs-CuNPs). SiNWs were synthesized by metal-assisted chemical etching (MACE) from silicon wafers keeping the remaining silver nanoparticles for all three sample types. The nanowires were about 23–30 µm in length. CoONPs and CuNPs were deposited on SiNWs by the autocatalytic reduction processes (electroless). There were many factors in

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9

Zhang, Wen Xue, Xin Hu, Xiao Bin Lin, and Cheng He. "Zr-Catalyzed Hydrogen Chemisorptions on an Al Surface." Advanced Materials Research 197-198 (February 2011): 1096–99. http://dx.doi.org/10.4028/www.scientific.net/amr.197-198.1096.

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The most promising hydrogen storage materials are perhaps complex metal hydrides. Thus, a plausible first step in the rehydrogenation mechanism is proposed by simulating the reversible hydrogen storage in Zr-doped NaAlH4. It provides insight into the catalytic role of Zr atoms on an Al surface in the chemisorptions of molecular hydrogen. It is found that the diffusion of hydride species on Al-metallic phase and formation of Al hydride species is probably the key to syntheses the next products in the rehydrogenation reaction.

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10

Wu, Jun Fang. "The Band Structures of Chemisorptions on Si (100) Surface." Advanced Materials Research 1061-1062 (December 2014): 311–14. http://dx.doi.org/10.4028/www.scientific.net/amr.1061-1062.311.

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The band structures were given by study on the chemisorptions of atom on the Si (100) surface. From these curves, the pseudogap, forbidden bandwidth, the trend of Fermi level in the graphics at the Fermi level were analyzed and compared for different elements absorption. The conclusion is that the electrical conductivity of Cu, Na is the best, followed by C, the last is the Si.

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11

OYOUNG, C. "C02 and NO chemisorptions on Mo/$gamma;-Al2O3 catalysts." Journal of Catalysis 113, no. 2 (1988): 307–16. http://dx.doi.org/10.1016/0021-9517(88)90259-x.

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12

Gupta, Prem Kumari. "Effect of temperature and surface area on adsorption of chlorine on different adsorbent carbons." Journal of Applied and Natural Science 4, no. 2 (2012): 284–87. http://dx.doi.org/10.31018/jans.v4i2.265.

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Chlorine is used in several ways in industry. In such situations, where residual chlorine persists as pollutant, Activated carbons like animal charcoal, carbon black and coconut charcoal can serve as agents to remove residual pollutant “chlorine” by the process of adsorption. Five samples of Carbon black, six samples of active Carbons and two samples of charcoals were treated with a stream of chlorine @0.4 litre/hour at temperature varying from 300 to 1200 C. Chlorine is adsorbed partially physically and partially chemically. Percentage of the chemisorbed increases with rise in the temperature

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13

Ogunmodede, O. T., O. L. Adebayo, and A. A. Ojo. "Enhancing Adsorption Capacity of Clay and Application in Dye Removal from Waste Water." International Letters of Chemistry, Physics and Astronomy 39 (October 2014): 35–51. http://dx.doi.org/10.18052/www.scipress.com/ilcpa.39.35.

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Natural clay has been considered as a potential absorbent for removing pollutants from water and waste water. Nonetheless, the effective application of clay for water treatment is limited due to small surface area and presence of net negative surface charge, leading to it low adsorption capacity. The absorption capacity was boosted via intercalation of CaO derived from snail shell (SS). The methylene blue sorption potential, PZC, and the surface area of unmodified clay sample were substantially enhanced by the intercalation process. The process of sorption of MB from solution was analyzed usin

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Ogunmodede, O. T., O. L. Adebayo, and A. A. Ojo. "Enhancing Adsorption Capacity of Clay and Application in Dye Removal from Waste Water." International Letters of Chemistry, Physics and Astronomy 39 (October 2, 2014): 35–51. http://dx.doi.org/10.56431/p-8rzvmp.

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Natural clay has been considered as a potential absorbent for removing pollutants from water and waste water. Nonetheless, the effective application of clay for water treatment is limited due to small surface area and presence of net negative surface charge, leading to it low adsorption capacity. The absorption capacity was boosted via intercalation of CaO derived from snail shell (SS). The methylene blue sorption potential, PZC, and the surface area of unmodified clay sample were substantially enhanced by the intercalation process. The process of sorption of MB from solution was analyzed usin

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15

Isaev, A. V., Y. P. Demakov, R. N. Sharafutdinov, and L. V. Ryzhova. "Geochemical features of alluvial soils of the middle reaches of the Bolshaya Kokshaga river." Lomonosov Geography Journal 79, no. 5, 2024 (2024): 27–39. https://doi.org/10.55959/msu0579-9414.5.79.5.3.

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The article presents the results of work on the identification of the paragenesis of chemical elements and radial geochemical barriers in the basic alluvial soils (Fluvisols) of the middle reaches of the Bolshaya Kokshaga River (Republic of Mari El). It was found that the leading (typomorphic) element is Fe, with which Mn, Ba, P, Zn and Ni are associated. Al forms a geochemical family with K, Mg, Ti and Cr. The content of Ca, S, Sr and Cu is related to the amount of loss during calcination, and Na and Zr are related to Si. Particular elements are fixed on radial geochemical barriers: Si and Zr

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16

Ye, Yin Ping, Wen Du, Hong Xuan Li, Li Ji, Jian Min Chen, and Hui Di Zhou. "Effect of Chemisorptions on Wetting Property in TiO Nanosheet Film." Advanced Materials Research 601 (December 2012): 16–20. http://dx.doi.org/10.4028/www.scientific.net/amr.601.16.

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TiO nanosheet films were fabricated by magnetron sputtering and followed with the direct in situ hydrothermal method. Without UV irriadiation, the TiO nanosheet surface showed a wetting property of superhydrophilicity. However, after chemisorptions using a self-assembled monolayer of n-CF3(CF2)7CH2CH2Si(OC2H5)3, the wetting property of the film can be changed from superhydrophilicity to superhydrophobicity. Based on the FESEM, XRD, XPS analysis, the mechanism of the wetting bahavior was proposed.

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17

Monajjemi, M., M. T. Baei, and F. Mollaamin. "Quantum mechanic study of hydrogen chemisorptions on nanocluster vanadium surface." Russian Journal of Inorganic Chemistry 53, no. 9 (2008): 1430–37. http://dx.doi.org/10.1134/s0036023608090143.

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18

O, Egah G., Obadimu C. O, Ewenifa O. J, Ndukwe B. K, and Adelagun R. O. A. "Exploring the Degradation of Malachite Green Using Fenton and Photo-Fenton Processes." African Journal of Sciences and Traditional Medicine 1, no. 1 (2024): 274–87. https://doi.org/10.58578/ajstm.v1i1.3501.

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The degradation of Malachite green (MG) dye was studied using Fenton and Photo-Fenton processes. Batch experiment was conducted for the effect of pH at the range of (3–12), initial concentration at 50–250mg/L, effect of catalyst dosage of 0.2-1.0g, contact time (10–60min) and temperature (303–318) were eval_uated. For each experiment, the reactor was loaded with 30mL of 50mg/L of MG aqueous solution and 20ml of 50mmol of hydrogen peroxide to which 0.5g of the ferrous catalyst was added. As investigated, the degradation capacity of Fenton and Photo Fenton was favoured by an increase in dosage,

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19

Li, Bin, Hong Bin Wang, and Yan Yuan. "Adsorption Kinetics of Phosphate on Ceria-Based Adsorbent." Advanced Materials Research 726-731 (August 2013): 1668–72. http://dx.doi.org/10.4028/www.scientific.net/amr.726-731.1668.

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The adsorption kinetics and influencing factors deduction showed that adsorption process accorded with a second-order kinetic equation according to academic hypothesis. The result was validated by the phosphate adsorption onto Veria-Based adsorbent. The factor (m/V)bhad the close relation with the adsorption speed and the adsorbent dosage, intensity exponent b=0.44 (0b1) in this test condition. All the results show that phosphate adsorption on the adsorbent surface was mono-layer chemisorptions and that the hypothesis of kinetic inference was reasonable.

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20

WANG, Z. G., X. T. ZU, J. L. NIE, and H. Y. XIAO. "CHEMISORPTIONS OF ATOMIC OXYGEN AND ITS REPLACEMENT BY HYDROGEN ON THE DIAMOND (100) SURFACE STUDIED BY FIRST PRINCIPLES." Surface Review and Letters 13, no. 01 (2006): 45–49. http://dx.doi.org/10.1142/s0218625x06007809.

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The initial oxidation process of a clean diamond (100) surface was studied by first-principles calculations. The O -bridge with C–O–C bond chemisorption, O -on-dimer chemisorption with epoxy structure, and O -on-top chemisorption with C=O bond structure are found to be stable on the diamond (100) surfaces. The epoxy structure is more stable than the O -bridge structure. The calculation also shows that the oxygen atom can be replaced by hydrogen in the oxidized diamond (100) surface.

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21

Ta, Luong Thi, Ikutaro Hamada, Yoshitada Morikawa, and Van An Dinh. "Adsorption of toxic gases on borophene: surface deformation links to chemisorptions." RSC Advances 11, no. 30 (2021): 18279–87. http://dx.doi.org/10.1039/d1ra02738g.

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22

Rakhshi, Mahdi, Mohsen Mohsennia, and Hossein Rasa. "DFT Study of PH3 Physisorption and Chemisorptions on Boron Nitride Nanotubes." Russian Journal of Physical Chemistry A 92, no. 3 (2018): 540–46. http://dx.doi.org/10.1134/s0036024418030172.

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23

Moghimi, Masoumeh, and Mohammad T. Baei. "Nanostructures’ study of chemisorptions of O2 molecule on Al (100) surface." Journal of Saudi Chemical Society 18, no. 5 (2014): 469–73. http://dx.doi.org/10.1016/j.jscs.2011.10.004.

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24

Revathi, G., S. Ramalingam, P. Subramaniam, and A. Ganapathi. "Removal of Direct Yellow-12 Dye from Water by Adsorption on Activated Carbon Prepared fromFicus RacemosaL." E-Journal of Chemistry 8, no. 4 (2011): 1536–45. http://dx.doi.org/10.1155/2011/902421.

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The adsorption of direct yellow-12 dye (DY-12) by Atti leaf (Ficus racemosa) powder carbon (ATC) was carried out by varying the parameters such as agitation time, dye concentration, adsorbent dose, pH and temperature. Equilibrium adsorption data followed both Langmuir and Freundlich isotherms. Adsorption followed second-order kinetics. The adsorption capacity was found to be 6.7 mg dye per gram of the adsorbent. Acidic pH was favorable for the adsorption of DY-12. Desorption studies suggest that chemisorptions might be the major mode of adsorption.

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25

P., Deivanayagam*1 &. S. Selvaraj2. "CORROSION ADSORPTION AND THERMODYNAMIC PROPERTIES OF WRIGHTIA TINCTORIA LEAVES OF MILD STEEL IN 1.ON HYDROCHLORIC ACID MEDIUM." GLOBAL JOURNAL OF ENGINEERING SCIENCE AND RESEARCHES 5, no. 11 (2018): 278–87. https://doi.org/10.5281/zenodo.1569037.

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The adsorptive nature of Wrightia tinctoria leaves extract on mild steel in 1.0 N Hydrochloric acid environment contains various concentrations of inhibitor with different exposure time and temperature has been investigated by using mass loss measurements. The observed result reveals that the percentage of inhibition efficiency increased with increase of inhibitor concentration and temperature. It is exothermic, spontaneous and chemisorptions process. The inhibitor follows Langmuir adsorption isotherm. The corrosion product formed on the metal surface confirmed by the adsorption studies such a

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26

S, Anbalagan, Ravishankar M, Sivakumar S, Sivakumar M, and Krishna E. "Synthesis, Characterization and Corrosion Inhibition study of N-(4-((4-(pyridin-2-yl) piperazin-1-yl) methyl) phenyl) quinoline-6-carboxamide on Mild Steel under HCl Solution." Indian Journal of Science and Technology 16, no. 11 (2023): 803–15. https://doi.org/10.17485/IJST/v16i11.2364.

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Abstract <strong>Objectives:</strong> To use the newly synthesized efficient organic corrosion inhibitor N-(4-((4-(pyridin-2-yl) piperazin-1-yl)methyl)phenyl)quinoline-6-carboxamide to carry out on mild steel corrosion inhibition study. <strong>Methods:</strong> N-(4-((4-(pyridin- 2-yl)piperazin-1-yl)methyl)phenyl)quinoline-6-carboxamide was synthesized by stirring method under 0oC to room temperature at 12 hrs. The synthesized organic inhibitor was characterized by 1H NMR, 13C NMR, UV and FTIR spectroscopy. The inhibition effect of organic inhibitor on the mild steel corrosion

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27

A.p, Petchiammal, P. Deepa Rani, S. Seetha Laks, and S. Selvaraj. "Anti-corrosive effect of Cassia alata leaves extract on Mild steel in 1.0N Hydrochloric acid." JOURNAL OF ADVANCES IN CHEMISTRY 2, no. 2 (2006): 82–90. http://dx.doi.org/10.24297/jac.v2i2.897.

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The inhibition effect of Cassia alata leaves extract on corrosion of mild steel in 1N HCl was investigated through mass loss measurements with various time and temperature. The observed result indicated that the corrosion inhibition efﬁciency and degree of surface coverage were increased with increase of inhibitor concentration and temperature. The thermodynamic parameters (Ea, ∆Hads, ∆Gads, ∆Sads) were evaluated for corrosion inhibition process which suggests that the adsorption is endothermic, spontaneous and chemisorptions and also the inhibitor follows Langmuir adsorption isotherm. The pro

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28

Vishnudevan, M. "Mitigation of Mild Steel Corrosion in Acidic Solution Using Inhibitor." E-Journal of Chemistry 8, s1 (2011): S53—S60. http://dx.doi.org/10.1155/2011/894041.

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The inhibition efficiency of mild steel corrosion in HCl acidic solution containing various concentrations of mixed inhibitors were evaluated by conducting Tafel polarization and electrochemical impedance studies. The mixed inhibitors used in this present investigation were trisodium citrate and sodium benzoate. In this present investigation 0.01 N to 0.1 N concentrations of HCl was used at 30°C. Sodium benzoate present in the mixed inhibitive system enhanced the inhibition efficiency through chemisorptions. The maximum inhibition efficiency ( 95.4%) was obtained for the mixed inhibitive syste

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29

Yan, Dong Zhi, Zheng Xin Yan, Tao Zhang, et al. "The Chemisorptions Mechanism Study of Methyl on Different Bonds in Porous Silicon." Advanced Materials Research 864-867 (December 2013): 399–403. http://dx.doi.org/10.4028/www.scientific.net/amr.864-867.399.

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The absorbing kinetic process of methyl on Si (111) surface was comprehensively studied using the method of quantum mechanics. We optimized the model structures of radical CH3+, Si (111), and CH3+ on Si (111) to obtain a rational convergence for the present calculations. The electron density difference and density of states of each model were calculated by CASTEP. The electron density difference of CH3+ on Si (111) reveals that the charge transfer factor is difference for different absorption positions, which indicates that the bond strength difference. The density of state of model exhibits t

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30

Nakatsuji, Hiroshi. "Dipped adcluster model for chemisorptions and catalytic reactions on a metal surface." Journal of Chemical Physics 87, no. 8 (1987): 4995–5001. http://dx.doi.org/10.1063/1.452814.

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31

Senthilkumaar, S., S. K. Krishna, P. Kalaamanic, C. V. Subburamaan, N. Ganapathy Subramaniam, and T. W. Kang. "Kinetic Approach for the Adsorption of Organophosphorous Pesticides from Aqueous Solution Using “Waste” Jute Fiber Carbon." E-Journal of Chemistry 7, s1 (2010): S511—S519. http://dx.doi.org/10.1155/2010/947070.

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Chemically activated “Waste” Jute Fiber carbon has been effectively used for the removal of five organophosphorous pesticides (malathion, monocrotophos, methylparathion, phosphamidon and dimethoate) from aqueous solutions. The prepared activated jute fiber carbon was characterized by using Elemental analyzer and proximate analysis methods. The adsorption equilibrium was examined at 28ºC. Three different kinetic models, the pseudo first order, pseudo second order and Elovich kinetic models were selected to analyses the adsorption process. To compare the fitness of pseudo first order and pseudo

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32

Guo, Ling. "Evolution of (GaAl) n Clusters and Chemisorptions of H2 on (GaAl) n Clusters." Journal of Cluster Science 24, no. 2 (2012): 575–89. http://dx.doi.org/10.1007/s10876-012-0529-0.

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Drouet, Christophe, Pierre Alphonse, José Luis García Fierro, and Abel Rousset. "Equilibrium and Kinetics of NO and CO Chemisorptions on Nonstoichiometric Nickel–Copper Manganites." Journal of Colloid and Interface Science 225, no. 2 (2000): 440–46. http://dx.doi.org/10.1006/jcis.2000.6784.

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Murugan, K. Senthil, and T. Mohanapriya. "N-BENZYLIDENE - 4 -NITROANILINE SCHIFF BASE COMPOUND CORROSION INHIBITION MILD STEEL IN ACIDIC MEDIA." RASAYAN Journal of Chemistry 16, no. 02 (2023): 613–20. http://dx.doi.org/10.31788/rjc.2023.1628293.

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Schiff base N ̶ benzylidene 4-nitroaniline (NB4NA) synthesized and examine corrosion inhibition belongings mild steel (MS) within acidic solutions 0.5 H2SO4 and 1M HCl. The weight loss method confirms inhibition capacity prolonged with enhancing the concentration of synthesized Schiff base NB4NA. Electrochemical studies reveal that NB4NA acts as an anodic and cathodic sortof inhibitor impedance studies exposed rising Schiff base attention with inhibition efficiency of about 70-75%. Furthermore, thermodynamic parameters confirm the positive attraction behavior of MS with inhibitor due to both p

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Chowdhury, Z., S. M. Zain, and A. K. Rashid. "Equilibrium Isotherm Modeling, Kinetics and Thermodynamics Study for Removal of Lead from Waste Water." E-Journal of Chemistry 8, no. 1 (2011): 333–39. http://dx.doi.org/10.1155/2011/184040.

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The low cost adsorbent palm oil fuel ash (POFA) derived from an agricultural waste material was investigated as a replacement of current expensive methods for treating wastewater contaminated by Pb(II) cation. Adsorption studies were carried out to delineate the effect of contact time, temperature, pH and initial metal ion concentration. The experimental data followed pseudo second order kinetics which confirms chemisorptions. The values of Langmuir dimensionless constant, RLand Freundlich constant, 1/n were less than 1 representing favorable process for adsorption. Thermodynamic parameters su

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36

Yang, Shuo Wang, Kian Ping Loh, and Ping Wu. "Ab initio studies of hydrogen and oxygen chemisorptions on the cubic BN(111) surface." Surface Science 599, no. 1-3 (2005): 128–40. http://dx.doi.org/10.1016/j.susc.2005.10.003.

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37

Li, Jifan, Xiaofan Cheng, Chenghua Zhang, Yong Yang, and Yongwang Li. "Effects of alkali on iron-based catalysts for Fischer-Tropsch synthesis: CO chemisorptions study." Journal of Molecular Catalysis A: Chemical 396 (January 2015): 174–80. http://dx.doi.org/10.1016/j.molcata.2014.10.006.

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Nakatsuji, Hiroshi, and Hiromi Nakai. "Dipped adcluster model study for molecular and dissociative chemisorptions of O2 on Ag surface." Journal of Chemical Physics 98, no. 3 (1993): 2423–36. http://dx.doi.org/10.1063/1.464170.

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Wang, Hongtao, Lijuan Chen, Yongkang Lv, Jianwen Liu, and Gang Feng. "A First Principle Comparative Study on Chemisorption of H2on C60, C80, and Sc3N@C80in Gas Phase and Chemisorption of H2on Solid Phase C60." Journal of Nanomaterials 2014 (2014): 1–7. http://dx.doi.org/10.1155/2014/676908.

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The chemisorptions of H2on fullerenes C60and C80, endofullerene Sc3C@C80and solid C60were comparatively studied. A chain reaction mechanism for dissociative adsorption of H2on solid C60is proposed under high pressure. The breaking of H–H bond is concerted with the formation of two C–H bonds on two adjacent C60in solid phase. The adsorption process is facilitated by the application of high pressure. The initial H2adsorption on two adjacent C60gives a much lower barrier 1.36 eV in comparison with the barrier of adsorption on a single C60(about 3.0 eV). As the stereo conjugate aromaticity of C60i

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40

Faye, Omar, and Jerzy A. Szpunar. "Effect of Metal Carbides on Hydrogen Embrittlement: A Density Functional Theory Study." Hydrogen 5, no. 1 (2024): 137–48. http://dx.doi.org/10.3390/hydrogen5010009.

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This study uses plane wave density functional theory (DFT) to investigate the effect of certain metal carbides (Niobium carbide, Vanadium carbide, Titanium carbide, and Manganese sulfide) on hydrogen embrittlement in pipeline steels. Our results predict that the interaction of hydrogen molecules with these metal carbides occurs in the long range with binding energy varying in the energy window [0.043 eV to 0.70 eV].In addition, our study shows the desorption of H2 molecules from these metal carbides in the chemisorptions. Since atomic state hydrogen interacts with NbC, VC, TiC, and MnS to caus

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Allam, Djaouida, Salem Cheknoun, and Smain Hocine. "Operating Conditions and Composition Effect on the Hydrogenation of Carbon Dioxide Performed over CuO/ZnO/Al2O3 Catalysts." Bulletin of Chemical Reaction Engineering & Catalysis 14, no. 3 (2019): 604. http://dx.doi.org/10.9767/bcrec.14.3.3451.604-613.

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A series of catalysts constituted of mixed copper and zinc oxides supported on alumina were prepared by co-precipitation method. The cooper content was in the 10-90 wt.% range. Their catalytic behavior in the hydrogenation of carbon dioxide to methanol was investigated at high pressure (up to 75 bars). The catalysts were characterized by elemental analysis, N2-adsorption, N2O-chemisorptions, and X-ray diffraction (XRD). The catalysts showed a clear activity in the hydrogenation reaction that could be correlated to the surface area of the metallic copper and to the reaction pressure. The CuO/Zn

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Kadapparambil, Sumithra, Kavita Yadav, Manivannan Ramachandran, and Noyel Victoria Selvam. "Electrochemical investigation of the corrosion inhibition mechanism of Tectona grandis leaf extract for SS304 stainless steel in hydrochloric acid." Corrosion Reviews 35, no. 2 (2017): 111–21. http://dx.doi.org/10.1515/corrrev-2016-0074.

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AbstractThe use of Tectona grandis leaf extract as a green corrosion inhibitor for stainless steel 304 (SS304) in 2 m hydrochloric acid was investigated using electrochemical techniques. Potentiodynamic polarization studies with different inhibitor concentrations showed that the inhibitor is of mixed type, which works by affecting both cathodic and anodic reactions. Adsorption analysis using the potentiodynamic polarization and electrochemical impedance spectroscopy runs result in standard free energy of adsorption values between −20 kJ mol−1 and −40 kJ mol−1, indicating a comprehensive adsorp

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Yu, Yunwu, Lianjie Liang, Changwei Xu, et al. "Effect of cerium content on textural and hydrodesulfurization performance for dibenzothiophene over a bulk Ni2P catalyst." Progress in Reaction Kinetics and Mechanism 44, no. 1 (2019): 37–44. http://dx.doi.org/10.1177/1468678319830798.

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A series of ceria promoted Ni2P catalysts were prepared and evaluated in dibenzothiophene hydrodesulfurization steam. These catalysts were characterized by X-ray diffraction, N2 adsorption–desorption, CO chemisorptions, and X-ray photoelectron spectroscopy. The results showed that the addition of ceria into the bulk Ni2P catalyst was conducive to the formation of the Ni2P phase and contributed to a higher surface area, leading to a better dispersion and smaller crystallite size of Ni2P particles. The CexNi2P catalysts showed higher dibenzothiophene hydrodesulfurization activity than Ni2P catal

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Senin, H. B., O. Subhi, R. Rosliza, et al. "Role of Sawdust in the Removal of Iron from Aqueous Solution." ASEAN Journal on Science and Technology for Development 23, no. 3 (2017): 223. http://dx.doi.org/10.29037/ajstd.107.

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Sawdust, inexpensive material has been utilized as an absorbent for the removal of iron from aqueous solution for their safe disposal. The adsorption experiments of untreated sawdust (SD) and treated sawdust (SDC) have been carried out at room temperature using the batch test. The Langmuir and Freundlich isotherms were used to observe sorption phenomena of sawdust in the removal of iron. The results indicate that the sawdust was capable in removing iron in aqueous solution. The results have shown that the Langmuir isotherm was found well fitted into the experimental data as compared to the Fre

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Kamala, Mandy Hansda, Das Ajit, Mahato Anupama, Singh Purnima, and Mahata Nagendranath. "Promotion of carbon xerogel supported Pt catalyst by Co and Zn for liquid phase hydrogenation of cinnamaldehyde." Journal of Indian Chemical Society Vol. 97, No. 12c, Dec 2020 (2020): 2963–66. https://doi.org/10.5281/zenodo.5654783.

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Center for Adsorption and Reaction Engineering on Surface (CARES), Department of Chemistry, Sidho-Kanho-Birsha University, Purulia-723 104, West Bengal, India <em>E-mail:</em> nagendranath_mahata.chem@skbu.ac.in <em>Manuscript received online 04 December 2020, accepted 24 December 2020</em> Pt catalysts, supported on mesoporous carbon xerogel and promoted by Co and Zn, were prepared following impregnation method. The catalysts were assessed in liquid phase hydrogenation of cinnamaldehyde. Characterisation of the catalysts was done by elemental analysis, N<sub>2</sub> adsorption, H<sub>2</sub>

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Krupkin, E. I., I. A. Averin, I. A. Pronin, S. E. Igoshina, and A. A. Karmanov. "Dimensional Effects in Zinc Oxide Nanocomposites as Basis for Design of New Generation Gas Sensors." Nano- i Mikrosistemnaya Tehnika 23, no. 3 (2021): 122–30. http://dx.doi.org/10.17587/nmst.23.122-130.

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The possibility of using a nanocomposite based on zinc oxide ultrafine powder and polyvinyl alcohol as a sensitive element of a gas sensor is analyzed. It is shown that zinc oxide nanoparticles with a shape close to a rectangular parallelepiped can be considered as potential wells, separated by layers of polyvinyl alcohol that form potential barriers. The contribution of the tunneling component to nanocomposite current density is estimated for systems with and without oxygen chemisorptions. Results of numerical simulation are shown that a shift of the peaks in the dependence of transmittance o

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Mahendran, M., B. Rekha, S. Seenithurai, R. Kodi Pandyan, and S. Vinodh Kumar. "Hydrogen storage in Beryllium decorated graphene with double vacancy and porphyrin defect — A first principles study." Functional Materials Letters 10, no. 03 (2017): 1750023. http://dx.doi.org/10.1142/s1793604717500230.

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Beryllium (Be)-decorated graphene with 585 double carbon vacancy defect and nitrogen-doped porphyrin defect are investigated for hydrogen storage applications using the first principle calculation based on density functional theory. It is found that the Be atom disperses well in the defective sites of graphene and prevents clustering. For the case of Be-decorated 585 double vacancy graphene, only two H2 molecules are adsorbed via Kubas interaction with the stretched H–H bond length of 0.8 Å. In Be-decorated porphyrin defect graphene system, four H2 molecules are molecularly chemisorbed with th

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Dhrubajit, Borah* Bishnujyoti Bordoloi Rehnaz Wahid. "EFFECT OF PH ON THE ADSORPTION OF METHYLENE BLUE ON CLAY MATERIAL." Global Journal of Engineering Science and Research Management 4, no. 11 (2017): 8–13. https://doi.org/10.5281/zenodo.1045881.

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The paper reports the effect of PH on the adsorption of a dye (methylene blue) from aqueous solution by laboratory-made clay material prepared from magnesium sulphate and aluminium sulphate.The effect of pH on the adsorption of the dye on the clay material was found to be quite distinct; the change of adsorption is regular with increase of pH. The results have revealed that both physical and chemisorption are occurring here.

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Yaneva, Zvezdana, Bogdana Koumanova, and Nedyalka Georgieva. "Study of the mechanism of nitrophenols sorption on expanded perlite ‒ equilibrium and kinetics modelling." Macedonian Journal of Chemistry and Chemical Engineering 31, no. 1 (2012): 101. http://dx.doi.org/10.20450/mjcce.2012.61.

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The adsorption behavior of 2-nitrophenol (2-NP) and 2,4-dinitrophenol (2,4-DNP) on expanded perlite (EP) at equilibrium and kinetic conditions was investigated. The experimental equilibrium data were interpreted by Langmuir, Freundlich, Redlich–Peterson, Temkin and the multilayer isotherm models. Both the Temkin and the multilayer models gave the most satisfactory representation of the experimental data for 2-NP sorption on EP covering the whole concentration range, presuming high initial sorption rate, presence of adsorbent-adsorbate chemical interactions and multilayer adsorption, as the bas

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Shofiyani, Anis, and Gusrizal Gusrizal. "DETERMINATION OF pH EFFECT AND CAPACITY OF HEAVY METALS ADSORPTION BY WATER HYACINTH (_{Eichhornia crassipes}) BIOMASS." Indonesian Journal of Chemistry 6, no. 1 (2010): 56–60. http://dx.doi.org/10.22146/ijc.21774.

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Effect of pH and determination of adsorption capacity of Cu(II), Ni(II) and Pb(II) heavy metal ions on adsorbent prepared from Eichhornia crassipes (eceng gondok) biomass has been investigated. The influence of media acidity on the adsorption characteristics was carried out by determining ions adsorbed at various pH in the range of 2-10, while an adsorption isotherm model of Langmuir was used to estimate the capacity of adsorption. Results showed that Cu(II) was optimally adsorbed at the range pH of 5-6, Ni(II) at 2-4, while Pb(II) reached an optimum adsorption at pH 2-3. The adsorption data o

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