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(Referência obtida automaticamente do Web of Science, por meio da informação sobre o financiamento pela FAPESP e o número do processo correspondente, incluída na publicação pelos autores.)

CRAFS: a model to analyze two-dimensional X-ray diffraction patterns of plant cellulose

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Autor(es):
Oliveira, Rafael P. [1] ; Driemeier, Carlos [1]
Número total de Autores: 2
Afiliação do(s) autor(es):
[1] CTBE CNPEM, Lab Nacl Ciencia & Tecnol Bioetanol, BR-13083970 Campinas, SP - Brazil
Número total de Afiliações: 1
Tipo de documento: Artigo Científico
Fonte: JOURNAL OF APPLIED CRYSTALLOGRAPHY; v. 46, n. 4, p. 1196-1210, AUG 2013.
Citações Web of Science: 14
Resumo

Cellulose from higher plants is a vast renewable resource organized as crystals. Analysis of these crystals by X-ray diffraction poses very specific challenges, including ubiquitous crystallite texture and substantial overlapping of diffraction peaks. In this article, a tailor-made model named Cellulose Rietveld Analysis for Fine Structure (CRAFS) is developed to analyze two-dimensional X-ray diffraction patterns from raw and processed plant cellulose. One-dimensional powder diffractograms are analyzable as a particular case. The CRAFS model considers cellulose I beta crystal structure, fibrillar crystal shape, paracrystalline peak broadening, pseudo-Voigt peak profiles, harmonic crystallite orientation distribution function and diffraction in fiber geometry. Formulated on the basis of the Rietveld method, CRAFS is presently written in the MATLAB computing language. A set of meaningful coefficients are output from each analyzed pattern. To exemplify model applicability, representative samples are analyzed, bringing some general insights and evidencing the model's potential for systematic parameterization of the fine structure of raw and processed plant celluloses. (AU)

Processo FAPESP: 10/05523-3 - Alterações nanomorfológicas da matéria lignocelulósica de cana-de-açúcar
Beneficiário:Carlos Eduardo Driemeier
Linha de fomento: Auxílio à Pesquisa - Apoio a Jovens Pesquisadores