Cell-element simulations to optimize the performance of osmotic processes in porous membranes
V. M. Calo, O. Iliev, S. P. Nunes, G. Printsypar, M. Shi
Comp. Math. Appl. 76, 361-376 (2018)
We present a new module of the software tool PoreChem for 3D simulations of osmotic
processes at the cell-element scale. We consider the most general fully coupled model (see
e.g., Sagiv and Semiat (2011)) in 3D to evaluate the impact on the membrane performance
of both internal and external concentration polarization, which occurs in a cell-element
for different operational conditions. The model consists of the Navier–Stokes–Brinkman
system to describe the free fluid flow and the flow within the membrane with selective
and support layers, a convection–diffusion equation to describe the solute transport, and
nonlinear interface conditions to fully couple these equations. First, we briefly describe the
mathematical model and discuss the discretization of the continuous model, the iterative
solution, and the software implementation. Then, we present the analytical and numerical
validation of the simulation tool. Next, we perform and discuss numerical simulations for
a case study. The case study concerns the design of a cell element for the forward osmosis
experiments. Using the developed software tool we qualitatively and quantitatively investigate
the performance of a cell element that we designed for laboratory experiments of
forward osmosis, and discuss the differences between the numerical solutions obtained
with the full 3D and reduced 2D models. Finally, we demonstrate how the software enables
investigating membrane heterogeneities.