Modeling of polymer brush grafted nanoparticles for algal harvesting

Abstract

Microalgae derived biofuel shows great potential as a replacement to petroleum based fuels. However, industrial scale and economical production of fuel from microalgae suffer from an expensive dewatering step brought on by the organism's specific cell properties. A retrievable, paramagnetic nanoparticle polyelectrolyte brush (NPPB) has been designed as a flocculation agent to provide a low cost method in collecting algal biomass in biofuel production. In conjunction with experiment, subsequent theoretical investigations have been conducted in order to understand experimental observations and inform future design. A strategy has been implemented to provide informative descriptions for the relationship between flocculation agent parameters and dewatering efficiency. We studied the effect altering the degree of polymerization and monomer charge fraction had on the harvesting efficiency by considering flocculation as the criteria for harvesting. As the number of charges on the polymer backbone of the NPPB is increased, less NPPB concentrations are required to achieve equal harvesting efficiencies. This is a result of needing less NPPB to completely screen the effective charge on the algae surface. However, the Debye length limits the amount of charge on the algae surface one NPPB can screen. Using the free energy calculations for the complete set of pair interactions between the NPPB and the algae, we determined how many adsorbed NPPB were required in order for the force between coated algae to become attractive at some algae surface separation. This corresponded to the NPPB bridging two algae sur-faces. NPPB with higher monomer charge fractions and degree of polymerizations led to a stronger bridging bond and larger bridging gap that could outweigh the algae pair repulsion. Optimized structures maximize these effects.