000			01739nam a22001937a 4500
082			_a660.284 _bB353C
100			_aBavana, Biddala _945581
245			_aComputational Study on Material Development for Glucose Extraction and Dye Removal Using Colloidal Gas Aphrons _cby Biddala Bavana
260			_aIIT Jodhpur _bDepartment of Chemical Engineering _c2023
300			_aix, 35p. _bHB
500			_aIn this work, we have studied the computational development of Colloidal Gas Aphrons (referred to as CGA henceforth) using the Molecular Modelling software (QuantumATK®), through energy optimization techniques. The developed CGA molecule has shown potential applications in separating D-glucose from the date-palm extract and in the removal of azo-dyes from water due to the formation of strong to moderate hydrogen bonds with these separating molecules. We have, therefore, estimated the hydrogen bond energies formed during the separation process and have quantified these hydrogen bonds based on hydrogen bond length. The details of the molecule development of CGA, D-glucose, and three azo-dyes have been reported subsequently in this report. We have also described the complete steps involved in the energy optimization techniques for each of the above molecules and its complex formation with CGA in the methodology section of this report. Finally, in the results section, we discuss the separation mechanism of D-glucose and azo-dyes using the designed CGA
650			_aDepartment of Chemical Engineering _945582
650			_aColloidal Gas Aphrons (CGA) _945583
650			_aEnergy Optimization _945584
650			_aHydrogen Bonding _945585
650			_aMTech Theses _945586
700			_aSengupta, Angan _945587
942			_cTH
999			_c16609 _d16609