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Thermal Stability of Lyocell Solutions: Experimental Results and Modeling Using Cluster Analysis and Partial Least Squares Regression
Author(s) -
Wendler Frank,
Kolbe Axel,
Kraft Jörg,
Einax Jürgen W.,
Heinze Thomas
Publication year - 2008
Publication title -
macromolecular theory and simulations
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.37
H-Index - 56
eISSN - 1521-3919
pISSN - 1022-1344
DOI - 10.1002/mats.200700049
Subject(s) - partial least squares regression , principal component analysis , chemistry , regression analysis , thermal analysis , stability (learning theory) , population , thermostability , thermal stability , cluster (spacecraft) , morpholine , biological system , thermodynamics , chromatography , mathematics , statistics , thermal , organic chemistry , computer science , physics , demography , machine learning , sociology , biology , programming language , enzyme
A population of 167 samples were monitored using by rheological, calorimetric, chromatographic and spectroscopic methods, which allows a precise description of the thermal behavior. Hierarchical cluster analysis was used to find similarities between groups of samples. Principal components analysis revealed isoperibolic pressure slope, morpholine and N ‐methylmorpholine as variables providing most information concerning the thermostability. The onset temperature as the beginning of an exothermicity can be modeled by the combination of detection of amines and aldehydes and subsequent PLS regression.