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Design of Addatives for use in Li-ion Batteries: A Density Functional Theory Approach
, M.Sc. Thesis Sharif University of Technology ; Gobal, Fereydoon (Supervisor)
Abstract
In Li batteries, lithium ions are exchanged between two electrodes, along with the accompaning electron transfer to maintain riability good ionic conductivities and electrolytes stability are achived through additives to the electrolyte. Such matrial should possess good anions acceptability. This work investigates the potential of aza-ethers in this regard. The softness criteris is basically employed. DFT calculation for selected molecules of different size, substituents and interacting atoms are used to correlate softness, electrophilicity, Fukui no, etc to the usefulness of the corresponding matrials
Electrochemical Desulfurization of Sample Oil
, Ph.D. Dissertation Sharif University of Technology ; Farhadi, Fatolla (Supervisor) ; Shahrokhi, Mohammad (Co-Supervisor)
Abstract
Since, presence of sulfur compounds in fuels leads to environmental pollution and deacrese of fuel quality, fuel desulfurization should be considered for enhancing the fuel charachteristics. Electrochemical desulfurization was recogonized as one of desulfurization techniques that uses anode and cathode in an electrolytic environment under mild temperature and pressure. In this research, electrochemical desulfurization of crude gas-oil has been studied over electrodes of copper and stainless steel in the presence of NaOH and sulfuric acid. In this research, the effects of operational prameters like stirring rate, temperature, applied potential, sodium hydroxide/sulfuric acid addition as...