We have utilized three density functionals b95 blyp

Info iconThis preview shows page 1. Sign up to view the full content.

View Full Document Right Arrow Icon
This is the end of the preview. Sign up to access the rest of the document.

Unformatted text preview: 3LYP to B95 to MP2 levels. The nonplanarity character of the dihalo derivatives were confirmed by the MP4(SDQ) calculations. The B3LYP functional poorly predicted the ring -puckering and ring-twisting frequencies, unlike the case for the B95 functional which gave better values for those two modes in the four molecules. This is due to the fact that the ring-puckering potential energy function predicted by B3LYP calculations is nearly purely quartic. 212 3rd ICYC 2010 Universiti Sains Malaysia PHY-O5 23rd-25th June 2010 KINETICS OF FATTY ACID LIPOSOME FORMATION IN LIPOSOME-GLYCOLIPID STABILIZED EMULSION SYSTEM M Radziah and M Misni Chemistry Department, Faculty of Science, University of Malaya, 50603 Kuala Lumpur, Malaysia E-mail: [email protected] The interfacial property of fatty acid surfactant with different chain length was being studied at olive oil water interfaces, below and above their critical vesicle concentrations (CVC). The drop volume method was employed to determine the CVCs, the diffusion coefficient, D, the interfacial tension equilibrium, γe, and the surface excesses, Г. Dynamic surface tension obtained from drop volume was analyzed using the asymptotic solutions of Ward and Tordai equation while the interfacial tension vs concentration was evaluated using Langmuir-Szyszkowski type isotherm. The experiments have shown that the adsorption rates of surfactants were strongly dependent on the length of carbon chain and increases with the increase number of carbon atoms in the hydrocarbon chain of molecules. The difference in their D value 0 was in order of magnitude. The values of the standard fre e energy of adsorption (∆G ads) for all the 0 surfactants are much higher than their standard free energy of vesiculation, (∆G ves) in which enables us to assume that the vesiculation process is favored over the adsorption process. The increment per -1 -1 methylene group in standard free energy of adsorption is about 1.56 kJ mol and about 1.70 kJ mol in standard free energy of vesiculation. In all chain length of surfactant being studied, the liposome formation will retarded the mi...
View Full Document

This note was uploaded on 02/17/2011 for the course CHEMISTRY 101 taught by Professor Csr during the Spring '11 term at University of Louisville.

Ask a homework question - tutors are online