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Langmuir Adsorption Isotherm (langmuir + adsorption_isotherm)
Selected AbstractsTheoretical studies of some sulphonamides as corrosion inhibitors for mild steel in acidic mediumINTERNATIONAL JOURNAL OF QUANTUM CHEMISTRY, Issue 14 2010Eno E. Ebenso Abstract Density functional theory (DFT) at the B3LYP/6-31G (d,p) and BP86/CEP-31G* basis set levels and ab initio calculations using the RHF/6-31G (d,p) methods were performed on four sulfonamides (namely sulfaacetamide (SAM), sulfapyridine (SPY), sulfamerazine (SMR), and sulfathiazole (STI)) used as corrosion inhibitors for mild steel in acidic medium to determine the relationship between molecular structure and their inhibition efficiencies (%IE). The order of inhibition efficiency obtained was SMR > SPY > STI > SAM which corresponded with the order of most of the calculated quantum chemical parameters namely EHOMO (highest occupied molecular orbital energy), ELUMO (lowest unoccupied molecular orbital energy), the energy gap (,E), the Mulliken charges on the C, O, N, S atoms, hardness (,), softness (S), polarizability (,), dipole moment (,), total energy change (,ET), electrophilicity (,), electron affinity (A), ionization potential (I), the absolute electronegativity (,), and the fraction of electrons transferred (,N). Quantitative structure activity relationship (QSAR) approach has been used and a correlation of the composite index of some of the quantum chemical parameters was performed to characterize the inhibition performance of the sulfonamides studied. The results showed that the %IE of the sulfonamides was closely related to some of the quantum chemical parameters but with varying degrees/order. The calculated %IE of the sulfonamides studied was found to be close to their experimental corrosion inhibition efficiencies. The experimental data obtained fits the Langmuir adsorption isotherm. The negative sign of the EHOMO values and other thermodynamic parameters obtained indicates that the data obtained supports physical adsorption mechanism. © 2009 Wiley Periodicals, Inc. Int J Quantum Chem, 2010 [source] Effect of adsorption characteristics of a modified cellulase on indigo backstainingJOURNAL OF CHEMICAL TECHNOLOGY & BIOTECHNOLOGY, Issue 6 2004Diomi Mamma Abstract The effect of limited proteolysis (digestion) of a commercial cellulase preparation (Ecostone® L350) on backstaining with indigo was investigated. The influence of protease (papain) concentration on limited proteolysis of cellulase preparation was studied, applying different ratios of papain/cellulase (w/w). Changes in adsorption on Avicel cellulose of the non-digested compared with the papain-digested Ecostone® L350 were examined using the Langmuir adsorption isotherm. The non-digested Ecostone® L350 exhibited stronger interaction to Avicel cellulose compared with the digested form, while the maximum efficiency of cellulase adsorption to Avicel cellulose decreased after digestion. When papain-digested Ecostone® L350 was applied on cotton fabrics during the dyeing procedure with indigo, a reduction of indigo backstaining was obtained compared with the non-digested Ecostone® L350. Copyright © 2004 Society of Chemical Industry [source] Kinetics and mechanism of Cr(VI) adsorption onto tea-leaves wasteASIA-PACIFIC JOURNAL OF CHEMICAL ENGINEERING, Issue 4 2008Md. Salatul Islam Mozumder Abstract Adsorption equilibrium and kinetic experiments have been conducted in batch mode to evaluate Cr(VI)-tea-leaves waste system. The equilibrium data followed the Langmuir adsorption isotherm and the adsorption was viewed as a physicochemical reversible process. A unified approach model was used to describe the adsorption system from both equilibrium and kinetic viewpoints. The model satisfactorily described both kinetic and equilibrium data. The adsorption and desorption rate constants were evaluated from the model fittings and were not dependent on initial concentration and adsorbent doses. pHzpc of the adsorbent was evaluated as 4.2 ± 0.1, and below that pH the adsorbent surface is positively charged. Adsorption of Cr(VI) was found highly pH-dependent, and the removal efficiency dropped sharply from 95 to 10% when pH of the system changed from 2 to 5. The surface functional groups of tea-leaves waste (before and after adsorption) were analyzed by Fourier transform infrared (FTIR) and the amine groups were found to take part in the adsorption of Cr(VI). The experimental result inferred that electrostatic attraction between the surface and the species is one of the major adsorption mechanisms for binding metal ions to the tea-leaves waste. Copyright © 2008 Curtin University of Technology and John Wiley & Sons, Ltd. [source] Interaction of Flavin Adenine Dinucleotide (FAD) with a Glassy Carbon Electrode SurfaceCHEMISTRY & BIODIVERSITY, Issue 8 2008Haizhen Wei Abstract The interaction of flavin adenine dinucleotide (FAD) with a glassy carbon electrode (GCE) surface was investigated in terms of the FAD adsorption thermodynamics and kinetics, the subsequent electroreduction mechanism, and the corresponding electron-transfer rate. The kinetics of FAD electroreduction at the GCE was found to be an adsorption-controlled process. A set of electroreduction kinetic parameters was calculated: the true number of electrons involved in the FAD reduction, n=1.76, the apparent transfer coefficient, ,app=0.41, and the apparent heterogeneous electron-transfer rate constant, kapp=1.4,s,1. The deviation of the number of exchanged electrons from the theoretical value for the complete reduction of FAD to FADH2 (n=2) indicates that a small portion of FAD goes to a semiquinone state during the redox process. The FAD adsorption was well described by the Langmuir adsorption isotherm. The large negative apparent Gibbs energy of adsorption (,Gads=,39.7 ±0.4,kJmol,1) indicated a highly spontaneous and strong adsorption of FAD on the GCE. The energetics of the adsorption process was found to be independent of the electrode surface charge in the electrochemical double-layer region. The kinetics of FAD adsorption was modeled using a pseudo -first-order kinetic model. [source] | ||||||||||