Thermodynamic modeling of binary phase diagram of 2-amino-2-methyl-1, 3-propanediol and TRIS(hydroxymethyl)aminomethane system with experimental verification

Thermodynamic assessment of binary erythritol-xylitol phase diagram for phase change materials design

“…These phase diagrams contain complex phase equilibrium features including eutectics, peritectics, eutectoids and peritectoids. The phase diagrams of the AMPL-NPG [34], [36], PER-AMPL [35], [36], and AMPL-TRIS [39], TRIS-PG, AMPL-PG [43], PER-PG-NPG [10], and PER-NPG-AMPL [38] systems were thermodynamically optimized, obtaining satisfactory agreements with the experimental data. For the TRIS-NPG system, an unoptimized phase diagram using ideal solutions assumption was found to have reasonable agreements with the experimental data, possibly owing to small excess molar Gibbs free energy parameters of the system [36].…”

“…By employing the CALPHAD method together with Thermo-Calc (PARROT module), the phase diagrams of: the binary polyol systems 2-amino-2-methyl-1,3-propanediol (AMPL)-neopentylglycol (NPG) [34], [36], pentaerythritol (PER)-AMPL [35], [36], and AMPL-pentaglycerine (PG) [43]; the binary amine-polyol systems tris(hydroxymethyl)aminomethane (TRIS)-NPG [36], TRIS-AMPL [39], and TRIS-PG [43]; and the ternary polyol systems PER-PG-NPG [10], [37] and PER-NPG-AMPL [38]; have been thermodynamically assessed. These phase diagrams contain complex phase equilibrium features including eutectics, peritectics, eutectoids and peritectoids.…”

Thermodynamic assessment of binary systems Tris(hydroxymethyl)aminomethane-Pentaglycerine (TRIS-PG) and 2-amino-2-methyl-1,3-propanediol-Pentaglycerine (AMPL-PG) phase diagrams

“…In this study, we focused on (1) the analytical description of the Gibbs energies of pure PG and pure TRIS derived by utilizing the available experimental data including temperatures, enthalpies at phase transitions, and dependent-temperature heat capacity; (2) optimization using regular and subregular solution models with CALPHAD methodology to obtain excess Gibbs energies of various phases. Thermodynamic evaluations of similar organic systems such as TRIS-AMPL [6], PE-AMPL [20], and AMPL-NPG [22] were performed using CALPHAD method. Unfortunately, in our previous work [6,20,22], the experimental heat capacity of various phases in pure material were extrapolated traditional (linear) manner [22], but if we use this linear extrapolation of heat capacities between the room temperature and the melting point, we obtain global features of the phases in this temperature range.…”

“…Thermodynamic evaluations of similar organic systems such as TRIS-AMPL [6], PE-AMPL [20], and AMPL-NPG [22] were performed using CALPHAD method. Unfortunately, in our previous work [6,20,22], the experimental heat capacity of various phases in pure material were extrapolated traditional (linear) manner [22], but if we use this linear extrapolation of heat capacities between the room temperature and the melting point, we obtain global features of the phases in this temperature range. However, at very high and very low temperature we have phase stability issues.…”

“…Crystallographic and thermodynamic parameters of the pure polyalcohol and amines are already established in the literature [5][6][7][8][9][10][11][12][13]. The low temperature crystal structure of AMPL is reported by Rose et al [5] as monoclinic with lattice parameters: a=8.62 Å, b=11.00 Å, c=6.10 Å, =93.32, V=580.3 Å 3 at 293K (Z=4).…”