High pressure vapor-liquid equilibrium (VLE) of CO2-expanded organic solvents is investigated using Peng-Robinson-LCVM-UNIFAC equation of state. Bubble pressure of ten ternary mixtures is predicted using this mixing rule and correlations are developed based only on binary experimental data. Due to the lack of experimental data for liquid phase density in the literature, it was necessary to perf...

−An industrial scale hexane process is designed for the implementation of a fully thermally coupled distillation column (FTCDC). A semi-rigorous material balance and Peng-Robinson equilibrium relation are utilized in the structural design. The operational design is conducted with a commercial design program, the HYSYS. The design outcome of the structural design indicates it to be comparable wi...

A PDAE model of a multicomponent gas pipeline has been formulated and solved using the ode15s solver of Matlab. The model with boundary conditions allows for reactions and di usion. Also, general cubic equations of state for pressure and enthalpy are described. To simplify the implementation at this stage, a non-reactive, non-di usional model with fixed feed composition is considered, and multi...

Due to the adverse effect of CO2 from fossil fuel combustion on the earth’s ecosystems, the most cost effective method for CO2 capture is an important area of research. The predominant process for CO2 capture currently employed by industry is chemical absorption in amine solutions. A dynamic model for the deabsorption process was developed with Monoethanolamine solution. Henry’s law was used fo...

−Computer simulations were performed to obtain highly pure tetrahydrofuran (THF) with over 99.9 mole% from the mixture of THF and water. Pressure swing distillation (PSD) was used since the azeotropic point between tetrahydrofuran and water can be varied with pressure. A commercial process simulator, PRO/II with PROVISION release 8.3, was used for the simulation studies. The Wilson liquid activ...

In biodiesel production processes using supercritical methanol, the phase equilibria for methanol + fatty acid methyl ester systems near the critical temperature of methanol (Tc = 512.6 K) are required as the fundamental data. A flow type method was applied to measure the vapor-liquid equilibria for methanol + fatty acid methyl ester binary systems at 493 – 543 K. The phase behavior was studied...

Based on biologically inspired algorithms, a thermodynamic model to describe the vapor-liquid equilibrium of binary complex mixtures containing supercritical fluids and ionic liquids, is presented. The Peng-Robinson equation of state with the Wong-Sandler mixing rules are used to evaluate the fugacity coefficient on the systems. Then, a hybrid particle swarm-ant colony optimization was used to ...

We propose a density-functional theory (DFT) describing inhomogeneous polymer-carbon dioxide mixtures based on a perturbed-chain statistical associating fluid theory equation of state (PC-SAFT EOS). The weight density functions from fundamental measure theory are used to extend the bulk excess Helmholtz free energy to the inhomogeneous case. The additional long-range dispersion contributions ar...

Graphical Abstract “A key experience in my education was the interdisciplinary training different research groups with a diversity of focus and culture … My favorite example chemistry everyday life is Maillard reaction when cooking braised pork belly …” Find out more about Hong-Jie Peng his Introducing Profile.