The New Jersey Institute of Technology's
Electronic Theses & Dissertations Project

Title:	NMR computer simulation of glassy and powdered samples : application to studies of sodium borovanadate glasses
Author:	Zhang, Xian-Quan
View Online:	njit-etd1994-150 (xi, 51 pages ~ 2.2 MB pdf)
Department:	Department of Physics
Degree:	Master of Science
Program:	Applied Physics
Document Type:	Thesis
Advisory Committee:	Russo, Onofrio L. (Committee chair) Buteau, Leon Joseph (Committee member) Ravindra, N. M. (Committee member)
Date:	1994-05
Keywords:	Nuclear magnetic resonance spectroscopy -- Computer simulation Sodium borovanadate glass
Availability:	Unrestricted
Abstract:	A computer program is devised to simulate the nuclear magnetic resonance (NMR) spectra observed in powdered and glassy samples in the presence of both nuclear quadrupole and anisotropic chemical shift interactions. This method is performed for the central transition of NMR spectra of nuclei with half-integral spin I. Typical theoretical behavior of the powder pattern is discussed and the "noise" and "error" in the simulated spectra are analyzed. The computer simulation method is applied to the studies of 11B NMR spectra of the sodium borovanadate glass system for which a structural model is presented in the range for which glasses can be made. The model predictions are in good agreement with the experimental data obtained by the 11B NMR computer simulation technique.