Thermodynamic modeling of the C(CH2OH)4–(NH2)(CH3)C(CH2OH)2 binary system

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].…”

“…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]. In these organic systems, different liquid and solid solution phases were thermodynamically described by employing: regular and sub-regular solution models [10], [34], [35], [37], [38], [43]; substitutional solution models [10], [37], [38]; and ideal solution models [34].…”

“…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.…”

Heat capacity measurement of organic thermal energy storage materials

“…A compilation of the thermodynamic and crystallographic properties of the compounds of interest to this study (AMPL, TRIS, and NPG) are shown in table 1. Additional references can be found in recent experimental and calculated phase diagram studies of (AMPL + NPG) [5], and (PE + AMPL) [6,7] binary systems.…”

“…The accurate knowledge of pure component heat capacity is crucial for experimental determination of excess heat capacities of binary mixtures in the high temperature orientationally disordered and liquid phase. Thermodynamic data such as excess heat capacities have not been reported in the literature for the binary mixtures involving the pure compounds in this study can provide experimental validation of various excess Gibbs free energy models that have been chosen to model some of the binary systems [5][6][7]. Thus, the quality of the pure compound heat capacities reported in this study using MDSC is an important yardstick for our future determination of excess heat capacities of a number of binary systems in the future.…”