Sorption and migration behaviour of barium and strontium in colemanite, granite kaolinite and bentonite matrices.

Hatipoğlu, Sinan


Sorption of cadmium and lead on activated carbons produced from resins and agricultural wastes
Akgün, Aydın Mert; Yücel, Hayrettin; Department of Chemical Engineering (2005)
In this work, adsorption of cadmium and lead from waste solutions by activated carbon was investigated. The activated carbons were produced from ion exchange resins and agricultural wastes in previous thesis studies under different conditions. BET surface areas of the activated carbons were given in previous studies. They were further characterized in this study. Slurry pH was measured by change in pH of water in which activated carbon was added. Methylene blue numbers were determined by adsorption of methy...
Sorption and diffusion of carbon dioxide and nitrogen in poly(methyl methacrylate)
Eslami, Hossein; Kesik, Melis; Karimi-Varzaneh, Hossein Ali; Mueller-Plathe, Florian (AIP Publishing, 2013-09-28)
Molecular dynamics simulations are performed to determine the solubility and diffusion coefficient of carbon dioxide and nitrogen in poly(methyl methacrylate) (PMMA). The solubilities of CO2 in the polymer are calculated employing our grand canonical ensemble simulation method, fixing the target excess chemical potential of CO2 in the polymer and varying the number of CO2 molecules in the polymer matrix till establishing equilibrium. It is shown that the calculated sorption isotherms of CO2 in PMMA, employi...
Excitation Localization/Delocalization Isomerism in a Strongly Coupled Covalent Dimer of 1,3-Diphenylisobenzofuran
Schrauben, Joel N.; Akdağ, Akın; Wen, Jin; Havlas, Zdenek; Ryerson, Joseph L.; Smith, Millie B.; Michl, Josef; Johnson, Justin C. (American Chemical Society (ACS), 2016-05-26)
Two isomers of both the lowest excited singlet (S-1) and triplet (T-1) states of the directly para, para'-connected covalent dimer of the singlet-fission chromophore 1,3-diphenylisobenzofuran have been observed. In one isomer, excitation is delocalized over both halves of the dimer, and in the other, it is localized on one or the other half. For a covalent dimer in solution, such "excitation isomerism" is extremely rare. The vibrationally relaxed isomers do not interconvert, and their photophysical properti...
Theoretical investigation of unimolecular reactions of cyclic c5h6 compounds by initio quantum chemical methods
Kınal, Armağan; Özkan, İlker; Department of Chemistry (2004)
Thermodynamic stabilities of eighteen cyclic C5H6 isomers were explored computationally both on singlet and triplet state potential energy surfaces (PES). All isomers have singlet ground states except for bicyclo[2.1.0]pent-5-ylidene (B5) having no stable geometry on the singlet C5H6 PES. Cyclopenta-1,3-diene (M1) is the most stable cyclic C5H6 isomer while cyclopent-1,4-diylidene is the least stable one among all. Cyclopenta-1,2-diene (M2) and cyclopentyne (M3) have biradical characters of 46.9 and 21.5%, ...
Structure and activity predictions on mono- and bi-metallic catalysts
Erünal, Ebru; Üner, Deniz; Department of Chemical Engineering (2006)
The purpose of this study is to simulate PtIB (IB=Ag, Au, Cu) and PtPd bimetallic catalysts with Monte Carlo method for 201, 586, 1289, and 2406 atom containing clusters in the temperature range between 2981000K. The simulations were based on a coordination-dependent potential model in which binary interaction parameters were used. The binary interaction parameters were determined from the available thermodynamic data and classical thermodynamics mixing rules. The equilibrium structure of the clusters was d...
Citation Formats
S. Hatipoğlu, “Sorption and migration behaviour of barium and strontium in colemanite, granite kaolinite and bentonite matrices.,” Ph.D. - Doctoral Program, Middle East Technical University, 1992.