Decane/Nonane, methyl-/n-Decane/n-butylhexane/N-butylglutaramic acid
174.9±3.0 °C at 760 mmHg
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Molecular dynamics simulations were performed to study the bulk and interfacial properties of methane + n-decane, carbon dioxide + n-decane, and methane + carbon dioxide + n-decane systems under geological conditions. In addition, theoretical calculations using the predictive Peng-Robinson equation of state and density gradient theory are carried out to compare with the simulation data. A key finding is the preferential dissolution in the decane-rich phase and adsorption at the interface for carbon dioxide from the methane/carbon dioxide mixture. In general, both the gas solubility and the swelling factor increase with increasing pressure and decreasing temperature. Interestingly, the methane solubility and the swelling of the methane + n-decane system are not strongly influenced by temperature. Our results also show that the presence of methane increases the interfacial tension (IFT) of the carbon dioxide + n-decane system. Typically, the IFT of the studied systems decreases with increasing pressure and temperature. The relatively higher surface excess of the carbon dioxide + n-decane system results in a steeper decrease in its IFT as a function of pressure. Such systematic investigations may help to understand the behavior of the carbon dioxide-oil system in the presence of impurities such as methane for the design and operation of carbon capture and storage and enhanced oil recovery processes.
Bulk and interfacial properties of decane in the presence of carbon dioxide, methane, and their mixture.
Choudhary N1, Narayanan Nair AK2, Che Ruslan MFA1, Sun S3.
2019 Dec 24
Taylor dispersion and dynamic light scattering techniques were used to measure the ternary diffusivity matrix [D] and the micelle gradient diffusion coefficient, respectively, in crowded aqueous solutions of decaethylene glycol monododecyl ether (C12E10) and decane. The results indicate that C12E10 diffused down its own gradient with the micelle gradient diffusivity while decane diffused down a decane gradient at a much slower rate. Furthermore, strong diffusion coupling, comprising decane diffusion down a surfactant gradient and surfactant diffusion up a decane gradient, was also observed with cross diffusivities that were on the order of or larger than the main diffusivities. Measurements of the micelle aggregation number, hydration index, and the hydrodynamic radius, obtained using both static and dynamic light scattering methods, indicate that decane-containing micelles interacted as hard spheres and had radii and aggregation numbers that increased linearly with the molar ratio of solute to surfactant. A theoretical model, developed using Batchelor’s theory for gradient diffusion in a polydisperse system of interacting hard spheres, was effectively used to predict [D] with no adjustable parameters. A comparison with the theory indicates that decane diffused down its own gradient by micelle self-diffusion while surfactant diffused down a surfactant gradient by micelle gradient diffusion. It is also shown that intermicellar interactions drove decane diffusion down a C12E10 gradient by a volume exclusion effect while an increase in the micelle aggregation number and hydrodynamic radius with decane was necessary to drive surfactant diffusion up a decane gradient.
Multicomponent Diffusion in Aqueous Solutions of Nonionic Micelles and Decane.
Alexander NP, Phillips RJ, Dungan SR.
2019 Oct 22