نتایج جستجو برای: unifac

تعداد نتایج: 154  

2017
Nan Zhao Johan Jacquemin Ryan Oozeerally Volkan Degirmenci

A modified UNIFAC−VISCO group contribution method was developed for the correlation and prediction of viscosity of ionic liquids as a function of temperature at 0.1 MPa. In this original approach, cations and anions were regarded as peculiar molecular groups. The significance of this approach comes from the ability to calculate the viscosity of mixtures of ionic liquids as well as pure ionic li...

Journal: :Journal of chemical information and modeling 2005
Vladimir V. Diky Robert D. Chirico Chris Muzny Andrei F. Kazakov Kenneth Kroenlein Joseph W. Magee Ilmutdin Abdulagatov Michael Frenkel

ThermoData Engine (TDE) is the first full-scale software implementation of the dynamic data evaluation concept, as reported in this journal. The present article describes the background and implementation for new additions in latest release of TDE. Advances are in the areas of program architecture and quality improvement for automatic property evaluations, particularly for pure compounds. It is...

2012
Edison Muzenda

The aim of this study was to compare the solubility of selected volatile organic compounds in water and silicon oil using the simple static headspace method. The experimental design allowed equilibrium achievement within 30 – 60 minutes. Infinite dilution activity coefficients and Henry’s law constants for various organics representing esters, ketones, alkanes, aromatics, cycloalkanes and amine...

1997
S. T. Harding

A novel approach for enclosing all homogeneous azeotropes in multicomponent mixtures is presented. The thermodynamic criteria for azeotropy are outlined, and mathematical equations for each criterion are developed. The global optimization approach is based on developing convex underestimators which are coupled with a branch and bound framework in which upper and lower bounds on the solution are...

2017
Yao Medina-Gonzalez Thierry Tassaing Séverine Camy Jean-Stéphane Condoret T. Tassaing

Phase equilibrium experimental data for the CO2/glycerol system are reported in this paper. The measurements were performed using an in situ FT-IR method for temperatures ranging from 40 C to 200 C and pressures up to 35.0 MPa, allowing determination of the mutual solubility of both compounds. Concerning the CO2 rich phase, it was observed that the glycerol solubility in CO2 was extremely low (...

Journal: :Fuel 2023

Despite recent research on blends of biodiesel with higher alcohols in Diesel engines, no information their behaviour as single droplets is available. This work presents experimental data the droplet evaporation 1-propanol and 1-pentanol compares them to results numerical models evaporation. The phase equilibrium non-ideal mixture alcohol was modelled using activity coefficients calculated from...

Journal: :Industrial & Engineering Chemistry Research 2021

Activity coefficients describe the nonideality of liquid mixtures and are essential for calculating equilibria. The activity at infinite dilution in binary particularly important as finite concentrations can be predicted based on their knowledge not only but also multicomponent mixtures. available experimental data these is readily accessible databases organized a matrix with rows representing ...

2016
JAKOV BALETA MILAN VUJANOVIĆ RUI MELO

Various environmental regulations put ever stringent requirements on the automotive industry as a part of solution to the problem of global warming and climate change. Engine emissions are influenced, among others, also with quality of fuel and air mixing process. Auto ignitability of fuel in cylinder depends on detailed chemical composition of the fuel as well as on the evolution of the therma...

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