This work presents the vapor–liquid equilibrium and the interfacial behavior modeling of binary and ternary CO\(_2\) + ester mixtures, with the cubic plus association equation of state (CPA-EOS) combined with the density gradient theory. The binary mixtures, CO\(_2\) + methyl myristate and CO\(_2\) + methyl palmitate, were studied at temperatures from 313.15 K to 333.15 K, considering the ester molecules as non-associating and the carbon dioxide as non-associating or self-associating (2B scheme) molecule. Phase behavior was predicted with binary interaction parameters adjusted from binary mixture phase equilibrium experimental data. Results show than there are some points better represented by the associating scheme, but the overall trend shows that the CPA-EOS with the non-associating scheme for all the molecules is the best option for describing the phase equilibrium and calculating the interfacial tension for the CO\(_2\) + ester binary mixtures. For this reason, the CO\(_2\) + methyl myristate + methyl palmitate mixture at 313.15 K was modeled only with non-associating fluids. The AAD% for the calculated interfacial tensions, considering non-associating molecules in the mixture is 9.7 % for the CO\(_2\) + methyl myristate mixture, 15.1 % for the CO\(_2\) + methyl palmitate mixture, and 7.9 % for the CO\(_2\) + methyl myristate + methyl palmitate mixture.

这项工作提出了汽相平衡和二元和三元CO \（_ 2 \） +酯混合物的界面行为模型，并结合了立方加缔合状态方程（CPA-EOS）和密度梯度理论。二元混合物CO \（_ 2 \） +肉豆蔻酸甲酯和CO \（_ 2 \）在313.15 K至333.15 K的温度下研究了+棕榈酸甲酯，考虑到酯分子是非缔合分子，而二氧化碳是非缔合或自缔合（2B方案）分子。用由二元混合物相平衡实验数据调整的二元相互作用参数预测相行为。结果表明，用缔合方案可以更好地代表某些点，但是总体趋势表明，对于所有分子，CPA-EOS和非缔合方案是描述相平衡和计算界面张力的最佳选择。 CO \（_ 2 \） +酯二元混合物。因此，CO \（_ 2 \）仅使用非缔合流体对313.15 K时的+肉豆蔻酸甲酯+棕榈酸甲酯混合物进行建模。的AAD％为所计算出的界面张力，考虑在该混合物中的非相关联分子是用于CO 9.7％\（_ 2 \） +肉豆蔻酸甲酯混合物，15.1％为CO \（_ 2 \） +棕榈酸甲酯混合物，和7.9对于CO \（_2 \） +肉豆蔻酸甲酯+棕榈酸甲酯混合物为％。