Liquid–liquid equilibria of dipropylene glycol dimethyl ether and water by molecular dynamics
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Add time:07/20/2019 Source:sciencedirect.com
In the framework of the Industrial Fluid Properties Simulation Challenge 2010, liquid–liquid equilibria of dipropylene glycol dimethyl ether and water are determined by molecular dynamics simulation. A new force field for the ether was developed and combined with a water model from the literature (TIP4P/2005). According to the specifications of the competition, molar fractions of the components in the coexisting phases are predicted over a temperature range from 283 to 353 K.
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