Dr. Björn Stenqvist, Lund University, SWEDEN
This work is primary about development and application of electrostatic theory within the atomistic domain. The resulting procedures were implemented to eventually describe sys- tems involving the cellulose molecule. A concluding remark about electrostatic interactions is the importance of moment cancellation. By inducing image moments which cancels the totality of the collective system moments, and summing their interactions, long-ranged effects seem to be accurately accounted for in isotropic settings. The performed studies denouement regarding the cellulose molecule is the necessity to account for slight electric structure modifications generated by changing its immediate environment. A concrete conclusion brought forward from this observation is the seemingly important effect of ion- izing the polymer in order to achieve solubility.
Oct 20, 2016 | 04:00 PM
Seminar Room T2 (1.4.03)