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CALPHAD modeling of phase diagram boundaries for binary 2-amino-2-methyl-1,3-propanediol (AMPL) and tris(hydroxymethyl) aminomethane (TRIS) system
Date
2010Type
ThesisDepartment
Chemical and Materials Engineering
Degree Level
Master's Degree
Abstract
The phase diagram assessment of binary AMPL-TRIS system was calculated using the
CALPHAD approach. Thermo-Calc, TCC software was used to fit the experimental
phase diagram data by simultaneous optimization of thermodynamic properties of pure
components and phase equilibria data available in the literature, and also calculated in the
present work. The measured interaction parameters for low temperature and solid
solution phases are relatively small and are assumed to be ideal. Preliminary calculation
of AMPL-TRIS phase diagram showed complete solid solubility of the high temperature
and ‟ phases, as reported by Barrio et al. (1994). In the next iteration, we calculated
AMPL-TRIS phase diagram using heat capacity data and found that it was in good
agreement with the current experimental phase diagram developed by V. Kamisetty
(2010). In final calculations, the Parrot module of Thermo-Calc program was used to
obtain an optimized phase diagram. The calculated phase corroborates well with V.
Kamisetty data. Two eutectoids, one at ~21 mol.% TRIS at 85oC, the other at ~60 mol.
% TRIS at 104oC, and one peritectic at 55 mol.% TRIS at 127oC were calculated. The
maximum solubility of TRIS in AMPL is 10 mol.%, and that of AMPL in TRIS is 18
mol.% at 85oC. An important feature of this phase diagram is the presence of and ‟
phases above 110oC. Details of the methodology and calculations are shown in this
thesis.
Permanent link
http://hdl.handle.net/11714/4403Additional Information
Committee Member | Chien, Dr. Wen-Ming; Daemen, Dr. Jaak |
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Rights | In Copyright(All Rights Reserved) |
Rights Holder | Author(s) |