Solubility Measurement,\nCorrelation, and Molecular\nSimulation of ε‑CL-20 in 12 Green Solvents at Temperatures\nfrom 283.15 to 323.15 K

The solubility of ε-CL-20 in\n12 eco-friendly biobased\nsolvents\nwas measured using the static method in the temperature range from\n283.15 to 323.15 K (0.1 MPa). Under given temperature conditions,\nthe solubility order of ε-CL-20 is ethyl lactate > isoamyl\nacetate\n> methyl lactate > butyl lactate > diethyl carbonate >2-methyl\ntetrahydrofuran\n> propanediol butyl ether > ethylene glycol > propylene glycol\n> 4-methyl-2-pentanol\n> cyclopentyl methyl ether > anisole. The modified Apelblat\nequation\nand Van’t Hoff model were utilized to correlate the solubility\ndata, and solvent effects were investigated using the Kamlet–Taft\nlinear solvation energy relationship model. In addition, the interaction\nbetween solute and solvent molecules was further studied by molecular\nsimulation. The thermodynamic properties of ε-CL-20 in new green\nsolvents reported in this study provide significant support for green\nindustrial production, sustainable development, and further theoretical\nresearch of ε-CL-20.