Identification of Phase Fraction–Temperature Curves from Heat Capacity Data for Numerical Modeling of Heat Transfer in Commercial Paraffin Waxes

The area-proportional baseline method generates phase fraction–temperature curves from heat capacity data of phase change materials. The curves describe the continuous conversion from solid to liquid over an extended temperature range. They are consistent with the apparent heat capacity and enthalpy modeling approach for the numerical solution of heat transfer problems. However, the curves are non-smooth, discrete signals. They are affected by noise in the heat capacity data and should not be used as input to continuous simulation models. This contribution proposes an alternative method based on spline approximation for the generation of consistent and smooth phase fraction–temperature, apparent heat capacity–temperature and enthalpy–temperature curves. Applications are presented for two commercial paraffins from Rubitherm GmbH considering heat capacity data from Differential Scanning Calorimetry and 3-layer-calorimetry. Apparent heat capacity models are validated for melting experiments using a compact heat exchanger. The best fitting models and the most efficient numerical solutions are obtained for heat capacity data from 3-layer-calorimetry using the proposed spline approximation method. Because of these promising results, the method is applied to melting data of all 44 Rubitherm paraffins. The computer code of the corresponding phase transition models is provided in the Supplementary Information.

Development of the room temperature protocol based on room temperature ionic liquids and surfactant ionic liquids for the synthesis of derivatives of 2-amino-thiazoles and thermo-physical analysis of the synthesized derivatives using TGA-DSC.

Aims: To develop an efficient protocol, which involves an elegant exploration of the catalytic potential of both the room temperature and surfactant ionic liquids towards the synthesis of biologically important derivatives of 2-aminothiazole. Objective: Specific heat capacity data as a function of temperature for the synthesized 2- aminothiazole derivatives has been advanced by exploring their thermal profiles. Method: The thermal gravimetry analysis and differential scanning calorimetry techniques are used systematically. Results: The present strategy could prove to be a useful general strategy for researchers working in the field of surfactants and surfactant based ionic liquids towards their exploration in organic synthesis. In addition to that, effect of electronic parameters on the melting temperature of the corresponding 2-aminothiazole has been demonstrated with the help of thermal analysis. Specific heat capacity data as a function of temperature for the synthesized 2-aminothiazole derivatives has also been reported. Conclusion: Melting behavior of the synthesized 2-aminothiazole derivatives is to be described on the basis of electronic effects with the help of thermal analysis. Additionally, the specific heat capacity data can be helpful to the chemists, those are engaged in chemical modelling as well as docking studies. Furthermore, the data also helps to determine valuable thermodynamic parameters such as entropy and enthalpy.