Separation of an aqueous mixture of 6-kestose/sucrose with zeolites: A molecular dynamics simulation

摘要: Abstract Extra-large pore zeolites are a small subset (21) among the whole list of 253 available. The discovery new low-glycemic sugars is very attractive as healthy additives in food field. This case 6-kestose. In present case, it appears mixture aqueous solution together with sucrose, separation being necessary. For this, we have focused on using certain adequate sizes that allow this mixture, considering since molecular size 6-kestose greater than necessary to promote sorption latter, so first can be purified. After computational screening micropores IZA zeolites, 11 were selected. Of these, 3 extra-large (AET, DON, ETR) been proposed, which analyzed in-depth through dynamics study external surface. results show DON presents most promising theoretical for selective sucrose/6-kestose separation.