What are the key pure component parameters for acetone and carbon dioxide in the PCP-SAFT equation of state combined with Density Gradient Theory (DGT)?

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Topic
The PCP-SAFT equation of state, which has four pure component parameters (chain length parameter m, segment diameter σ, segment interaction energy ε, and quadrupole moment Q or dipole moment μ), was used in conjunction with DGT. Carbon dioxide was modeled with a quadrupole moment, and acetone with a dipole moment.
Answer
For acetone, the parameters are: m = 2.7447, σ/Å = 3.2742, ε/k_B/K = 232.99, μ/D = 2.88, and 10²⁰κ_DGT/Jm⁵mol⁻² = 10.944. For carbon dioxide, the parameters are: m = 1.5131, σ/Å = 3.1869, ε/k_B/K = 163.33, Q/DA = 4.4, and 10²⁰κ_DGT/Jm⁵mol⁻² = 2.4197.
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