Solubilities of metal precursors in supercritical carbon dioxide (scCO₂) are needed to effectively design the scCO₂-based deposition method. Herein, a method for predicting the solubilities of metal acetylacetonate (acac) precursors in scCO₂ was developed using the perturbed-chain statistical associating fluid theory (PC-SAFT) equation of state. Three PC-SAFT pure-component parameters viz., the segment diameter, segment number, and dispersion energy, for two metal acetylacetonates (Cr(acac)₃ and Cu(acac)₂) were determined by adjusting their values to the measured solubilities in organic solvents. The PC-SAFT parameters of Cr(acac)₃ and Cu(acac)₂ were then applied to predict the experimentally determined metal precursor solubilities in scCO₂ from the literature. The PC-SAFT predictions accurately described the experimental solubilities in scCO₂ over a wide range of pressures and temperatures even if the binary interaction parameter k_ij was set to 0. The isobaric solubilities in scCO₂ were also calculated with the generalized k_ij values, which provided a successful PC-SAFT description.

需要金属前体在超临界二氧化碳（scCO ₂）中的溶解度，以有效地设计基于scCO ₂的沉积方法。在此，使用扰动链统计缔合流体理论（PC-SAFT）状态方程，开发了一种预测金属乙酰丙酮酸（acac）前体在scCO _2中溶解度的方法。通过将两个金属乙酰丙酮化物（Cr（acac）₃和Cu（acac）₂）的值调整为所测的溶解度，确定了三个PC-SAFT纯组分参数，即链段直径，链段数和分散能。有机溶剂。Cr（acac）₃和Cu（acac）₂的PC-SAFT参数然后将其用于根据文献预测由实验确定的金属前驱体在scCO _2中的溶解度。的PC-SAFT预测准确地描述在SCCO实验溶解度₂在宽范围的压力和温度，即使二元相互作用参数ķ _IJ被设置为0。在SCCO的同量异位的溶解度₂也与广义计算ķ _IJ值提供了成功的PC-SAFT描述。