High-pressure experimental pressure−density−temperature data for the propan-1-ol (1) + n-octane (2), propan-1-ol (1) + n-nonane (2), and propan-1-ol (1) + n-decane (2) binary systems are presented. Measurements were conducted over the entire composition range, in the temperature range of 313.15 to 363.15 K, from approximately 1 to 20 MPa, by using an Anton Paar DMA HP densitometer and a newly commissioned pressurizing network. The binary experimental density data is correlated by the fiveparameter modified Toscani−Szwarc equation of state, which demonstrates good correlation of the data. Excess molar volumes for the measured systems were determined as a function of pressure and temperature and were found to be positive for the measurement range considered in this work. Derived property data (thermal expansivity and isothermal compressibility) were also calculated for these systems and were found to be nonlinear in most instances. The effects of temperature and pressure on these properties were also discussed. The nonideality of the mixture properties was attributed to differences in the size and shape of the molecules and the energy interactions due to the polarity of the propan-1-ol molecules.

Density measurements conducted for the binary systems of butan-1-ol (1) + n-octane (2) and butan-1-ol (1) + n-decane (2) at high pressures are presented in this work. These measurements were conducted utilizing an Anton Paar DMA HP densitometer and encompass the entire composition range, with a temperature and pressure range of T = (313.15–353.15 K) and P = (0.1–20 MPa), respectively. The modified Toscani–Szwarc equation of state was employed to successfully correlate the experimental density data. The measured data were observed to comply with general expected trends with regards to the relationship between density, temperature, and pressure. Derived thermodynamic properties, namely, excess molar volumes, thermal expansivity, and isothermal compressibility, are also presented. Deviations from ideality are attributed to differing molecule sizes and shapes as well as intermolecular interactions between components constituting the mixture.

Liquid−liquid equilibrium (LLE) phase compositions (tie-line data) were experimentally measured and thermodynamically modeled for the systems nheptane + toluene + (butane-1,4-diol or glycerol) at 298.2, 313.2, and 333.2 K and 0.1 MPa. The direct analytical method was used to obtain the LLE data using a doublewalled glass cell. The phase equilibrium samples were quantitatively analyzed using gas chromatography. The ternary systems were successfully correlated using the NRTL and UNIQUAC thermodynamic models. The effectiveness of using butane-1,4-diol or glycerol as an alternative solvent to extract toluene from alkanes was evaluated by determining selectivity and solvent capacity. All systems studied were found to demonstrate type II ternary LLE behavior. The selectivity for the solvents studied was found to be comparable or superior to conventional solvents, but solvent capacities were poor, suggesting that the use of a cosolvent might be required to reduce solvent-to-feed ratios.

There is increasing focus on the replacement of commonly used solvents in the liquid−liquid extraction of aromatics with solvents that result in improved process economics as well as reduced risk in terms of health, safety, and environment. In this work, a selection of organic chemicals are proposed for further study as replacement solvents that meet the technological requirements for the process of aromatics extraction from alkanes and have not been conventionally considered previously for this application. There were 52,654 organic chemicals screened with the use of a search algorithm based on the process requirements in terms of physical properties, capacity, selectivity, and performance index. Nine organic chemicals were identified (not being previously considered) that met all the criteria imposed by the search algorithm. A risk assessment further screened the identified chemicals, filtering out the potential solvents with adverse impacts on health, safety, and environment. Process designs were developed with the use of ASPEN plus in order to ascertain the effects of solvent choice on process economics via the use of total annual costs. The screening process in this work produced significant insights due to its holistic approach. The incorporation of factors such as solvent price, solvent loss, utilities, capital costs, health, and environmental impact showed that several of the solvents identified may be sustainable and cost-effective alternatives to conventionally used solvents. This highlights the need for a robust and broad perspective in considering the impact of solvent choice.

In this work measurements and modeling of new phase equilibria data for systems related to natural gas processing were performed. A high-pressure apparatus functioning in the static synthetic mode was used to measure P–T–x data for the systems methane + methanol + 2,2′-[ethane-1,2-diylbis­(oxy)] di­(ethan-1-ol) (triethylene glycol (TEG)) (0.0333 methanol/0.9667 TEG wt fraction) and carbon dioxide + methanol + TEG (0.0333 methanol/0.9667 TEG wt fraction) at 303.16 and 323.15 K. Validation of the experimental technique was performed through measurement of P–T–x data for methane + TEG, methane + methanol, and carbon dioxide + water + TEG (0.0350 water/0.9650 TEG wt fraction) test systems from T = 298.15 to 323.15 K. The data were modeled using the Peng–Robinson equation of state with the Wong Sandler mixing rules (PRWS), the Cubic Plus Association (CPA) model, and the Perturbed-Chain Statistical Associating Fluid Theory (PC-SAFT) model, and predictions were performed with the predictive Soave–Redlich–Kwong (PSRK) model. For the methane + methanol + TEG and carbon dioxide + methanol + TEG systems, the PRWS model correlation yielded the best fit to the experimental data compared to the PC-SAFT and CPA models with a maximum absolute average relative deviation in pressure (AARD­(P)) not exceeding 0.0309.