“…MD simulations regarding membrane fouling are usually linked with experimental results like permeation flux [36], surface imaging [55], spectroscopy [32,109], solute removal measured by dissolved organic carbon or UV [226], etc. If acceptable match is found between simulation model and experiments, further analysis shall be conducted Fouling had still occurred as proven by another complete experimental study of our group [321]. Nonetheless, the filtration behavior of dextran was clearly solventdependent in that the normalized flux decline was more severe in water, indicating more severe fouling as filtration proceeded.…”