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However, most CEOS yield poor predictions of liquid densities.
The reliable predictions of liquid holdup and pressure drop are essential for pipeline design in oil and gas industry.
The present observations are the first steps to better understanding and quantitative predictions of liquid wall flows in the CLiFF design.
The rms and maximum deviations of predictions of liquid heats of formation from 41 measured values (corresponding to 24 molecules) are 3.3 and 9.3 kcal/mol, respectively.
In this work, the accuracy of two common force fields for amines, TraPPE-EH and OPLS-AA, was evaluated with respect to their predictions of liquid densities and fluidities for a large set of amine molecules including primary, secondary and tertiary.
Similar(55)
In addition to satisfactory predictions of liquid-phase composition and volume expansion ratios, the PSRK EOS also provides qualitative prediction ability for solubilities of solid solutes in CO2-expanded organic solvent.
Accurate prediction of liquid yields at different experimental conditions and pyrolysis optimisation was achieved.
Finally, a regression model is developed for prediction of liquid fraction in the NePCM.
Optimization of industrial gas liquid columns dedicated to CO2 capture requires prediction of liquid distribution within packed beds.
A modified method for the prediction of liquid circulation velocity based on the energy balance of the reactor was proposed.
Nevertheless, the average relative error in the prediction of liquid holdup and pressure gradient is less than 10%.
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