Computational modeling of drug separation from aqueous solutions using octanol organic solution in membranes

Mahboubeh Pishnamazi,Mahdi Ghadiri,Azam Marjani,Ali Taghvaie Nakhjiri,Saeed Shirazian,Arezoo Sodagar Taleghani

doi:10.1038/s41598-020-76189-w

Abstract

Continuous membrane separation of pharmaceuticals from an aqueous feed was studied theoretically by development of high-performance mechanistic model. The model was developed based on mass and momentum transfer to predict separation and removal of ibuprofen (IP) and its metabolite compound, i.e. 4-isobutylacetophenone (4-IBAP) from aqueous solution. The modeling study was carried out for a membrane contactor considering mass transport of solute from feed to organic solvent (octanol solution). The solute experiences different mass transfer resistances during the removal in membrane system which were all taken into account in the modeling. The model’s equations were solved using computational fluid dynamic technique, and the simulations were carried out to understand the effect of process parameters, flow pattern, and membrane properties on the removal of both solutes. The simulation results indicated that IP and 4-IBAP can be effectively removed from aqueous feed by adjusting the process parameters and flow pattern. More removal was obtained when the feed flows in the shell side of membrane system due to improving mass transfer. Also, feed flow rate was indicated to be the most affecting process parameter, and the highest solute removal was obtained at the lowest feed flow rate.

Highlights

Continuous membrane separation of pharmaceuticals from an aqueous feed was studied theoretically by development of high-performance mechanistic model
This research study aims to understand the removal of ibuprofen and its metabolite compound (4-IBAP) from an aqueous feed by contacting with an organic solvent in a hollow-fiber membrane contactor system
It can be observed that removal of solute is more when the feed flows in the shell side of membrane contactor, the concentration profiles are needed to quantify the variations of concentration for both cases

Summary

Introduction

Continuous membrane separation of pharmaceuticals from an aqueous feed was studied theoretically by development of high-performance mechanistic model. The model was developed based on mass and momentum transfer to predict separation and removal of ibuprofen (IP) and its metabolite compound, i.e. 4-isobutylacetophenone (4-IBAP) from aqueous solution. Pharmaceutical contaminants contain drug residues which can be arisen from personal care products, pharmaceutical production facilities waste, and hospital w aste[2] In this regard, many research studies have been performed for evaluating the occurrence, fate, and toxic effects of pharmaceutical compounds in drinking water and wastewater streams[3,4]. Coagulation/flocculation, filtration, and sedimentation are the conventional wastewater treatment methods that are being utilized at different scales to address this challenge These techniques are inefficient for removal of the most of pharmaceutical residues due to processing problems, and complexity of the feed solution. In Organic solution, out Aqueous solution, out Circular approximation based on Happel's free surface model r3

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