Abstract:-In this paper the cubic and tetragonal structure of MOF-5 were successfully synthesized and characterized by TGA and SEM analysis. Equilibrium adsorption isotherms of C-MOF-5 and T-MOF-5 for H 2 and CO 2 were measured up to 25 bar at 298 K using a volumetric method. The C-MOF-5 adsorbent synthesized in this study had a 0.107 and 79.9 wt% adsorption capacities at 298 K and 25 bar for H 2 and CO 2 , respectively. T-MOF-5 had a H 2 adsorption capacity of 0.122 wt% and CO 2 adsorption capacity of 67.6 wt% at 298 … Show more
“…Metal-organic frameworks (MOFs) are crystalline materials in which an inorganic metal cluster is bonded to an organic ligand to form an infinitely extended network-like structure [1][2][3][4][5]. Because of its large surface area and tunable pores, MOF show great potential for adsorption process [6][7][8][9][10][11][12]. Moreover, magnetic MOF inherit the good performance of MOF such as the rapid separation and recovery of magnetic species [13][14][15].…”
Section: Introductionmentioning
confidence: 99%
“…As a matter of fact, the presence of any extra species in the MOF-5 pores, which are generated during the synthesis process, changes the MOF-5 structure from activated to nonactivated [5,11,[21][22][23][24]. One of the most important excess molecules, which are present in the non-activated MOF pores is the cluster-oxygen composition (i.e.…”
This is a PDF file of an article that has undergone enhancements after acceptance, such as the addition of a cover page and metadata, and formatting for readability, but it is not yet the definitive version of record. This version will undergo additional copyediting, typesetting and review before it is published in its final form, but we are providing this version to give early visibility of the article. Please note that, during the production process, errors may be discovered which could affect the content, and all legal disclaimers that apply to the journal pertain.
“…Metal-organic frameworks (MOFs) are crystalline materials in which an inorganic metal cluster is bonded to an organic ligand to form an infinitely extended network-like structure [1][2][3][4][5]. Because of its large surface area and tunable pores, MOF show great potential for adsorption process [6][7][8][9][10][11][12]. Moreover, magnetic MOF inherit the good performance of MOF such as the rapid separation and recovery of magnetic species [13][14][15].…”
Section: Introductionmentioning
confidence: 99%
“…As a matter of fact, the presence of any extra species in the MOF-5 pores, which are generated during the synthesis process, changes the MOF-5 structure from activated to nonactivated [5,11,[21][22][23][24]. One of the most important excess molecules, which are present in the non-activated MOF pores is the cluster-oxygen composition (i.e.…”
This is a PDF file of an article that has undergone enhancements after acceptance, such as the addition of a cover page and metadata, and formatting for readability, but it is not yet the definitive version of record. This version will undergo additional copyediting, typesetting and review before it is published in its final form, but we are providing this version to give early visibility of the article. Please note that, during the production process, errors may be discovered which could affect the content, and all legal disclaimers that apply to the journal pertain.
“…Sources from which the removal of CO2 is desirable include natural gas power plants and other sources of H2 production [2], post-combustion flue gases [3] and transport vehicle emissions [4]. There are various CO2 capture technologies such as physical absorption [5], chemical absorption [6][7][8][9], adsorption [10][11][12][13][14][15] and membrane technology [16][17][18][19][20]. Due to the numerous endeavors in the study of CO2 capture in the past decade, nanoporous solids have been considered as the promising candidates for capable adsorption of gaseous carbon derivatives to limit the CO2 emission [21].…”
Density Functional Theory (DFT) calculations techniques are used to study CO2 adsorption in NH2-, OH-, COOH-, Brand Cl-functionalized IRMOF-1. Geometry optimization, density of states (DOS), and energy analysis were performed to investigate the adsorption phenomenon. The binding properties have been calculated and analyzed theoretically for pristine H2BDC and X-H2BDC as well as their complex forms with CO2 molecule in terms of binding energies, band structures, total density of states, and Mulliken charges. The finding showed larger interaction energy in COOH-H2BDC and somewhat in OH-H2BDC and NH2-H2BDC complexes compared to less interaction energies in Br-H2BDC and Cl-H2BDC complexes.
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