Correlation of ^1H NMR Chemical Shift for Aqueous Solutions by Statistical Associating Fluid Theory Association Model

1H NMR chemical shifts of binary aqueous mixtures of acylamide, alcohol, dimethyl sulphoxide (DMSO), and acetone are correlated by statistical associating fluid theory (SAFT) association model. The comparison between SAPT association model and Wilson equation shows that the former is better for dealing with aqueous solutions. Finally, the specialties of both models are discussed.

Equation oriented method for Rectisol wash modeling and analysis

Rectisol process is more efficient in comparison with other physical or chemical absorption methods for gas purification. To implement a real time simulation of Rectisol process, thermodynamic model and simulation strategy are needed. In this paper, a method of modified statistical associated fluid theory with perturbation theory is used to predict thermodynamic behavior of process. As Rectisol process is a highly heat-integrated process with many loops, a method of equation oriented strategy, sequential quadratic programming, is used as the solver and the process converges perfectly. Then analyses are conducted with this simulator.

Phase Equilibrium Calculation of Mixtures: Use of the SAFT-BACK Equation of State for Binary Systems under Elevated Pressure

The statistical associating fluid theory (SAFT) Boublík Alder Chen Kreglewshi(BACK) equation of state is employed to correlate vapor liquid equilibria of 16 binary mixtures composed of supercritical fluids with other fluids at elevated pressures. The van der Waals mixing rules are used and the binary parameters are adjusted to experimental data. The SAFT BACK equation of state provides a better correlation of vapor liquid equilibrium than the original BACK equation. Consequently, the binary parameters computed from the data sets can be used to accurately predict the saturated densities of the vapor and liquid phases.

An Analytic Equation of State Based on SAFT-CP for Binary Non-Polar Alkane Mixtures Across the Critical Point

The description using an analytic equation of state of thermodynamic properties near the critical points of fluids and their mixtures remains a challenging problem in the area of chemical engineering. Based on the statistical associating fluid theory across the critical point (SAFT-CP), an analytic equation of state is established in this work for non-polar mixtures. With two binary parameters, this equation of state can be used to calculate not only vapor-liquid equilibria but also critical properties of binary non-polar alkane mixtures with acceptable deviations.

Phase Equilibrium Calculation of Mixtures: Comparison of SAFT, Modified SAFT, and BACK EOS for Supercritical CO_2-C_2H_5OH System

Three calculational models, statistical associating fluid theory (SAFT), modified SAFT, and Boublík Alder Chen Kreglewshi (BACK) are compared for supercritical CO 2 C 2H 5OH using a set of van der Waals type mixing rules for both the BACK equation of state (EOS) and the SAFT EOS. Equations are presented for the residual Helmholtz free energy, residual chemical potentials, and compressibilty factor for mixtures. A comparison with experimental vapor liquid equilibrium (VLE) data reveals that the BACK EOS together with the suggested mixing rules provides more accurate prediction of the binary system than the SAFT or the modified SAFT model with no adjustable binary parameters. The correlation results are improved with an adjustable parameter.