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P-x,y Equilibrium Data of the Binary Systems of 2-Propanol, 1-Butanol and 2-Butanol with Carbon Dioxide at 313.15 K and 333.15 K.

Dragana BorjanMaša Knez MarevciŽeljko Knez
Published in: Molecules (Basel, Switzerland) (2022)
The ability to predict the behaviour of high-pressure mixtures of carbon dioxide and alcohol is important for industrial purposes. The equilibrium composition of three binary carbon dioxide-alcohol systems was measured at temperatures of 313.15 K and 333.15 K and at pressures of up to 100 bar for carbon dioxide-2-propanol, up to 160 bar for carbon dioxide-1-butanol and up to 150 bar for carbon dioxide-2-butanol. Different equilibrium compositions of carbon dioxide in alcohols were observed despite their similar molecular weight ( M 2-propanol = 60.100 g mol -1 , M 1-butanol = 74.121 g mol -1 and M 2-butanol = 74.122 g mol -1 ) and place in the functional hydroxyl group (first or second carbon molecule). It is assumed that the differences in the phase equilibria are due to different vapor pressures, polarities and solute-solute interactions.
Keyphrases
  • carbon dioxide
  • molecular dynamics
  • molecular dynamics simulations
  • ionic liquid
  • big data
  • alcohol consumption
  • artificial intelligence