Calibration of a materials informatics database for prediction of mechanically activated amorphization in small molecule organic solids and sample porosity corrections of MDSC thermal conductivity measurements [electronic resource] / by Yannan Lin
Manuscript | 2008.
Available at Gumberg AV Materials - 1st Floor (MF 805 REEL 2126)
xx, 186 p. : ill.
Title from document title page.
The objective of this project was to investigate mechanically induced solid state disordering in pharmaceutical small molecule organic crystalline materials. The central hypothesis tested here is that certain fundamental material properties may dictate the potential that a crystalline material has to become completely transformed to its amorphous state by the application of high shear mechanical energy. To test this hypothesis, fundamental materials properties of 23 prospective model compounds, including thermal properties, mechanical properties and structural properties were determined experimentally or obtained from literature. As a part of this project, a porosity correction model using a standard modulated differential scanning calorimeter was developed for the measurement of the thermal conductivities of pharmaceutical small molecule organic solids. Logistic regression analysis method was applied to identify those critical materials properties that contribute to the amorphization propensity. The optimum model required only two variables, glass transition temperature and molar volume, to achieve 100% accuracy of classification.
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Mode of access: World Wide Web.
Abstract included in electronic submission form.Solid state physics
Thesis (M.S.)--Duquesne University, 2008.
Includes bibliographical references and abstracts.
Mechanically activated amorphization in small molecule organic solids and sample porosity corrections of MDSC thermal conductivity measurements
MDSC thermal conductivity measurements
091110s2008 xx a sb 001 0 eng dntmIa
Computer data (1 file)
Access via Duquesne University Electronic Theses and Dissertations website - USE RESTRICTED TO DUQUESNE UNIVERSITY CAMPUS ONLY. http://digital.library.duq.edu/u/?/etd,112285