Modeling and experimental data of LLE, VLE, kinematic Viscosity, and density for the 2-Phenylethanol + n-Heptane mixture at low pressure

Abstract

2-Phenylethanol (2-PE) is widely used in the food and pharmaceutical industries to enhance solubility and antimicrobial properties. Its application is expanding in the oil industry, where it functions as a fuel additive, improving the anti-knock properties of gasoline in spark-ignition engines and acting as a low-reactivity fuel. The appropriate description of this mixture allows the simulation and optimization of the industrial processes, which is important in the design and evaluation of the performance of the processes. This work provides experimental data and modeling of the 2-PE + n-heptane (nC7) mixture at 85 kPa. Phase equilibrium data and transport properties such as density, liquid–liquid equilibrium (LLE) temperature, vapor–liquid equilibrium (VLE), and kinematic viscosity are reported. The LLE and VLE data cover temperature ranges from 294.49 K to 306.75 K and 366.58 K to 485 K, respectively. The experimental data were modeled using the modified Peng-Robinson (PR) Equation of State (EoS) and the Huron-Vidal mixing rule with the NRTL activity coefficient model. Interaction parameters were estimated, and the results showed that the average absolute relative deviations were 1.87 % for density, 0.26 % for LLE, and 0.07 % for VLE. Also, dynamic viscosity was estimated and modeled using the Grunberg and Nissan, and Eyring-Wilson-Porter mixing rules, with average absolute relative deviations ranging from 2.25 % to 2.33 %.