Experimental and computational phase behavior investigation for the CO2 + 1H, 1H-perfluorooctyl acrylate and CO2 + 1H, 1H-perfluorooctyl methacrylate systems at high pressure

• Published in: Arabian journal of chemistry 2023-07, Vol.16 (7), p.104862, Article 104862
• Main Authors: Dhamodharan, Duraisami, Park, Min-Soo, Mubarak, Suhail, Byun, Hun-Soo
• Format: Article
• Language: English
• Subjects: Carbon dioxide; High-pressure phase behavior; PFOA; PFOMA
• ISSN: 1878-5352; 1878-5379
• DOI: 10.1016/j.arabjc.2023.104862

[Display omitted] •The thermodynamics equilibrium properties for the two-component mixture of 1H, 1H-perfluorooctyl acrylate (PFOA) and 1H, 1H-perfluorooctyl methacrylate (PFOMA) in supercritical CO2 were investigated.•The phase behaviour of PFOA + SC-CO2 and PFOMA + SC-CO2 exhibits a type-I model.•The vapor and liquid curves of as-proposed two-component models (PFOA + SC-CO2 and PFOMA + SC-CO2) were investiagted by experimentaly as well as numerically (Peng-Robinson equation of state).•The as-proposed binary models (PFOA + SC-CO2 and PFOMA + SC-CO2) experimental results were shows a good fit with the numerical simulated results (Peng-Robinson equation of state). The solubility information of fluoro-monomer (meth) acrylate in organic solvents is an important factor affecting their use in numerous engineering practices. This study investigated the phase equilibria of 1H, 1H-perfluorooctyl acrylate (PFOA) and 1H, 1H-perfluorooctyl methacrylate (PFOMA) in supercritical CO2 using optical fiber and contact lenses. The solubility curves investigations were conducted at different temperatures (313.2 to 393.2) K and pressures (3.31 to 16.84) MPa, and the mole fraction of (0.032 to 0.630).Results revealed that the PFOA + SC-CO2 and PFOMA + SC-CO2 systems exhibited a type-I behavior. The RMSD (%) for the PFOA + SC-CO2 [kij = 0.075, ηij = 0.0], and PFOMA + SC-CO2 [kij = 0.075, ηij = 0.0] models using two factors determined at 353.2 K evaluated with the alterable parameters at each T were 5.08 %, and 5.36 %, respectively. The correlation of the experimental response for the PFOA + SC-CO2 and PFOMA + SC-CO2 two component models were examined using Peng-Robinson (PR) equation of state (EOS) involving two parameters (kij, ηij) base on a fluid mixture rule. Additionally, the critical properties (pc, Tc and ω) and vapor pressure of PFOA and PFOMA were assessed using the Joback-Lyderson group impact.