A statistical associating fluid theory for potential of variable range has been recently developed to model dipolar fluids (SAFT-VR+D) [Zhao and McCabe, J. Chem. Phys. 2006, 125, 104504]. The SAFT-VR+D equation explicitly accounts for dipolar interactions and their effect on the thermodynamics and structure of a fluid by using the generalized mean spherical approximation (GMSA) to describe a re...

Cubic equations of state combined with excess Gibbs energy predictive models (like UNIFAC) and equations of state based on applied statistical mechanics are among the main alternatives for phase equilibria prediction involving polar substances in wide temperature and pressure ranges. In this work, the predictive performances of the PC-SAFT with association contribution and Peng-Robinson (PR) co...

by proposing a predictive method with no adjustable parameter and by using infinite dilution activity coefficients of components in binary mixtures obtained from unifac model, the binary interaction parameters (k12) in van der waals mixing rule (vdwmr) and orbey-sandler mixing rule (osmr) have been evaluated. the predicted binary interaction parameters are used in peng-robinson-stryjek-vera equ...

Wax precipitation is one of the most challenging flow assurance problems because its ability to create restrictions inside wellbores, pipelines, and some production facilities. Inaccuracy in predictions wax appearance temperature (WAT) amount precipitated makes it necessary reassess existing thermodynamic models. In addition, current models require accurate description composition from expensiv...

A methodology for the determination of the solid-fluid contact angle, to be employed within molecular dynamics (MD) simulations, is developed and systematically applied. The calculation of the contact angle of a fluid drop on a given surface, averaged over an equilibrated MD trajectory, is divided in three main steps: (i) the determination of the fluid molecules that constitute the interface, (...

This study investigated the utility of a 5-min high-intensity exercise protocol (SAFT(5)) to include in prospective cohort studies investigating ACL injury risk. 15 active females were tested on 2 occasions during which their non-dominant leg was analysed before SAFT(5) (PRE), immediately after (POST0), 15 min after (POST15), and 30 min after (POST30). On the first occasion, testing included 5 ...

CO2/impurities cocapture in CCS technology allows reducing the purification costs and avoiding emission of pollutants into atmosphere. The viability transport by pipeline geological storage non-purified flue gas from oxy-fuel combustion biomass other processes, keeping impurities O2 or NO stream along with CO2, is assessed considering thermodynamic hydraulic aspects. For this, we experimentally...

[1] We performed shock compression experiments on preheated forsterite liquid (Mg2SiO4) at an initial temperature of 2273K and have revised the equation of state (EOS) that was previously determined by shock melting of initially solid Mg2SiO4 (300K). The linear Hugoniot, US = 2.674 ± 0.188 + 1.64± 0.06 up km/s, constrains the bulk sound speed within a temperature and composition space as yet un...

Based on our research, the Self Affine Feature Transform (SAFT) was introduced as it extracts quantities which hold information of the edges in the investigated image region. This paper gives details on algorithms which extract various geometric information from the SAFT matrix. As different image types should be analysed differently, a classification procedure must be performed first. The main...