The elimination of arsenic from natural gas condensate via pulse sieve-plate column: Experimental and application of DFT for chemical structure

Abstract

This work focuses on the elimination of arsenic ions from natural gas condensate via pulse sieve-plate column. The extraction of arsenic ions using the extractants: hydrochloric acid (HCl), Methanol (MeOH) and HCl/MeOH are investigated via density functional theory (DFT). The DFT method clearly demonstrates the synergistic reaction mechanism of the extractant HCl/MeOH, providing an improved extraction effect greater than the use of single extractants. Applying optimal conditions: MeOH (5 M), HCl (1 M), feed flowrate (55 ml/min), extractant flowrate (220 ml/min) and pulse velocity (2 cm/s), it is found that the pulse sieve-plate column leads to an increase in extraction of triphenylarsine. Mass-transfer parameters, including the Sauter mean diameter: 1.917 mm, the axial dispersion coefficient of the continuous phase: 0.012 m2/s, the extract percentage: 94.55%, the overall mass transfer coefficient: 1.228x10-3 s−1 as well as height of a transfer unit (HTU): 22.92 cm are also calculated under optimal conditions.