Atom-To-Enterprise: Multi-Scale Modeling of Flocculation Processes

The flocculation process is an important step towards product purification in downstream bio-manufacturing, and for removal of organics, biomass and cell debris in wastewater treatment# despite a broad application in various industries, the process mechanism is not well understood# flocculation is a process that can be represented across scales, from nano-scale and all the way beyond the microscale# due to the current lack of knowledge for modeling flocculation across the length scales, industry often resorts to manual control or no control at all of flocculation processes# in this work, it is intended to develop a hybrid systematic model-based framework, which integrates computational chemistry and stochastic modeling approaches for monitoring and control of the flocculation process above micro-scale# the intention is to reduce the time required for manual control, and to avoid potential product losses in addition to unwanted process variations during operation#