Please use this identifier to cite or link to this item: https://doi.org/10.1016/j.aca.2004.05.006
Title: A general method for the recovery of pure powder XRD patterns from complex mixtures using no a priori information: Application of band-target entropy minimization (BTEM) to materials characterization of inorganic mixtures
Authors: Guo, L.
Kooli, F.
Garland, M. 
Keywords: BTEM
Deconvolution
XRD patterns
Issue Date: 26-Jul-2004
Source: Guo, L., Kooli, F., Garland, M. (2004-07-26). A general method for the recovery of pure powder XRD patterns from complex mixtures using no a priori information: Application of band-target entropy minimization (BTEM) to materials characterization of inorganic mixtures. Analytica Chimica Acta 517 (1-2) : 229-236. ScholarBank@NUS Repository. https://doi.org/10.1016/j.aca.2004.05.006
Abstract: The recovery of pure component spectra from multi-component mixtures is one of the most common analytical problems in the chemical sciences. In cases where separation of the unknown components is not possible, the problem is often intractable. In materials science research, X-ray diffraction (XRD) and particularly X-ray powder diffraction (XRPD) are perhaps the primary characterization tools. Recently, we introduced band-target entropy minimization (BTEM), an essentially model-free deconvolution technique, applicable to sets of unknown mixture samples and initially applied to liquid-phase characterization (Chew et al., Organometallics, 2002, 21, 1982-1990). In the present study, a set of 12 unknown inorganic powder mixtures were prepared and the XRPD patterns measured. BTEM was then applied. The analysis provided the right prediction that five components were present. Outstanding pure component XRD patterns were obtained for all five components (Pb3(PO 4)2, Pb3(PO4)3Cl, ZrO2, Pb(OH)2, and PbO) present. These results have implications for a large variety of intrinsically inseparable multi-component mixtures encountered in material science research. These include un-reactive as well as reactive systems, and ex situ as well as in situ studies, involving organic, inorganic and even metallic/alloy components. Initial tests suggest that BTEM may be well suited for recovering the trace component diffraction patterns present and hence greatly aiding material characterization. © 2004 Elsevier B.V. All rights reserved.
Source Title: Analytica Chimica Acta
URI: http://scholarbank.nus.edu.sg/handle/10635/88446
ISSN: 00032670
DOI: 10.1016/j.aca.2004.05.006
Appears in Collections:Staff Publications

Show full item record
Files in This Item:
There are no files associated with this item.

SCOPUSTM   
Citations

19
checked on Feb 15, 2018

WEB OF SCIENCETM
Citations

22
checked on Jan 29, 2018

Page view(s)

31
checked on Feb 19, 2018

Google ScholarTM

Check

Altmetric


Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.