Molecular dynamics (MD) simulations of direct and derivative thermodynamic properties of the Mie n-6 fluid (n=8, 10, and 12) have been performed for liquid to supercritical states. Using the results, an in depth test of the monomer-monomer interaction estimation of a recently derived statistical associating fluid theory of variable range (SAFT-VR) equation of state [Lafitte et al., J. Chem. Phy...

Compatible solutes like ectoine and its derivatives are deployed by halophile organisms as osmolytes to sustain the high salt concentration in the environment. This work investigates the relation of the thermodynamic properties of compatible solutes and their impact as osmolytes. The ectoines considered in this work are ectoine, hydroxyectoine, and homoectoine. Besides solution densities (15-45...

From the presented experimental data of two CO2-rich mixtures containing SO2 and CO as impurities anthropogenic CO2, we evaluated impact simultaneous presence these on transport, injection storage carbon capture (CCS) technology. We determined density, vapor-liquid equilibrium speed sound a cocapture mixture (non-purified captured flue gas) [CO2 + 4.93 mol% 3.01 CO] representative European emis...

The use of a binary cycle coupled to the complete reinjection non-condensable gases could provide valid answer improvement sustainability geothermal plants. In recent years, interest in CO2 as working fluid transcritical cycles has increased. However, low critical temperature carbon dioxide (?30 °C) requires cooling cycle, temperatures below 15 °C, which are not always available. this work, ove...

An accurate prediction of phase behavior at conditions far and close to criticality cannot be accomplished by mean-field based theories that do not incorporate long-range density fluctuations. A treatment based on renormalization-group (RG) theory as developed by White and co-workers has proven to be very successful in improving the predictions of the critical region with different equations of...

In recent years, molecularly-based equations of state, as typified by the SAFT (statistical associating fluid theory) approach, have become increasingly popular tools for the modeling of phase behavior. However, whether using this, or even much simpler models, the reliable calculation of phase behavior from a given model can be a very challenging computational problem. A new methodology is desc...

An investigation of the fuel heating, vapor formation, and cavitation erosion location patterns inside a five-hole common rail diesel injector, occurring during early opening period needle valve (from 2 ?m to 80 ?m), discharging at pressures up 450 MPa, is presented. Numerical simulations were performed using explicit density-based solver compressible Navier–Stokes (NS) energy conservation equa...

This paper focuses on the use of CO2 + SO2 binary mixture as innovative working fluid for closed transcritical power cycles with a minimum temperature above 50 °C. Starting from literature review available experimental data mixture, PC-SAFT EoS is identified suitable model to characterize behavior. Once proper thermodynamic selected this comparison between cycle and sCO2 proposed various plant ...