Modeling of Interfacial Tensions of Long-Chain Molecules and Related Mixtures Using Perturbed Chain-Statistical Associating Fluid Theory and the Density Gradient Theory

2019 ◽  
Vol 65 (3) ◽  
pp. 1005-1018 ◽  
Author(s):  
Niklas Haarmann ◽  
Annika Reinhardt ◽  
Andreas Danzer ◽  
Gabriele Sadowski ◽  
Sabine Enders
Keyword(s):  
Density Gradient ◽  
Gradient Theory ◽  
Statistical Associating Fluid Theory ◽  
Chain Molecules ◽  
Interfacial Tensions ◽  
Fluid Theory ◽  
Density Gradient Theory ◽  
Long Chain

Phase Equilibria and Surface Tensions for MDEA, DEA and their Aqueous Solutions

2013 ◽  
Vol 781-784 ◽  
pp. 2554-2559
Author(s):  
Song Tao Liu ◽  
Li Guang Qin ◽  
Dong Fu
Keyword(s):  
Experimental Data ◽  
Aqueous Solutions ◽  
Phase Equilibria ◽  
Gradient Theory ◽  
Surface Tensions ◽  
Statistical Associating Fluid Theory ◽  
Molecular Parameters ◽  
Fluid Theory ◽  
Influence Parameter ◽  
Density Gradient Theory

The phase equilibira and surface tensions of N-methyldiethanolamine (MDEA), diethanolamine (DEA) and their aqueous solutions were investigated by using the perturbed-chain statistical associating fluid theory (PC-SAFT) and density-gradient theory (DGT). The molecular parameters and influence parameter were respectively regressed by fitting to the experimental data of phase equilibria and surface tensions of pure fluids. With the molecular parameters and influence parameter as input, the surface tensions of MDEA, DEA and their aqueous solutions were correlated satisfactorily.

Interfacial Properties for MEA and MEA-Water Mixtures

2013 ◽  
Vol 765-767 ◽  
pp. 3166-3169
Author(s):  
Lin Wei ◽  
Hui Min Hao ◽  
Lin Feng ◽  
Dong Fu
Keyword(s):  
Experimental Data ◽  
Aqueous Solutions ◽  
Interfacial Properties ◽  
Gradient Theory ◽  
Surface Tensions ◽  
Statistical Associating Fluid Theory ◽  
Molecular Parameters ◽  
Fluid Theory ◽  
Influence Parameter ◽  
Density Gradient Theory

The perturbed-chain statistical associating fluid theory (PC-SAFT) and density-gradient theory (DGT) were used to construct an equation of state (EOS) for the bulk and interfacial properties of monoethanolamine (MEA) and its aqueous solutions. The molecular parameters and influence parameter were regressed by fitting the experimental data of phase equilibria and surface tensions. With the molecular parameters and influence parameter as input, the surface tensions of MEA aqueous solutions were correlated satisfactorily.

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