Abstract
The vapor–liquid equilibrium (VLE) data of amino acids holds immense importance in chemical engineering. The VLE data of L-Alanine + H2O, DL-Valine + H2O and DL-Methionine + H2O were measured experimentally. The feasibility of VLE data is studied by using NRTL-Xu model, and the parameters of these systems were given. Furthermore, the Fourier Transform Infrared (FTIR) spectroscopy technique was used to study the microscopic properties of the amino acid solutions. Finally, the total mean interaction energy of water in the systems was studied by COSMOthermX. The results show that the vapor pressure increases with increasing temperature in the system, the vapor pressure of the higher solubility system is lower than the low solubility system and the pure solvent. From the FTIR results, it can be seen that the greater the solubility of amino acids in water, the stronger the hydrogen bond interaction with water. Meanwhile, the results of COSMOthermX show that the total mean interaction energy in the systems is least affected by the concentration. The structure–activity relationship between macroscopic properties (VLE) and microscopic interactions (hydrogen bonds) was established.
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