Pv. Coveney et al., Novel approaches to cross-linking high molecular weight polysaccharides: Application to guar-based hydraulic fracturing fluids, MOL SIMULAT, 25(5), 2000, pp. 265
We report on recent work carried out using computational chemistry techniqu
es which is aimed at suggesting novel ways of improving upon current method
s of handling guar-based fracturing fluids. We describe generic methods ava
ilable for modelling macromolecular, polysaccharide systems and apply these
methods to building representative sections of the guar polysaccharide mol
ecule, and to study its conformations in vacuo and in aqueous solutions usi
ng molecular dynamics. We then propose some novel cross-linking agents whic
h differ from most of those currently under consideration in that they are
extended, linear molecules related to polyethers. Representative cross-link
ing agents are then prepared and tested with various guar preparations. Thi
s study shows that with the correct choice of cross-linking agent, the over
lap concentration C* can be reduced below the expected level for particular
guars.