The emerging technology of separations using supercritical fluids has potential to improve many processes in the field of chemistry. Supercritical carbon dioxide (scCO2) is already in use as a supercritical solvent used for example in the decaffeination of coffee and extraction of compounds from herbal plants. It is because of this potential that scCO2 could be used to facilitate detection in extraterrestrial locations, such as Mars, to determine the organic compounds in their chemical makeup. Here we use Monte Carlo molecular simulation to determine the solubility in scCO2 + H2O of possible organic compounds present on Mars. The compounds include 1-octanol, phthalic acid, octanoic acid, as well as the amino acid glycine. Conditions studied include temperatures of 373.15 K and 453.15 K, pressures of 4, 10, and 20 MPa, and supercritical fluid compositions of 0, 0.5, 1 and 4 mole percent H2O. Results indicate that solubility is improved at higher temperatures and pressures.

Determining the feasibility of supercritical carbon dioxide + water for extracting organic compounds in extraterrestrial environments: A Monte Carlo simulation study

253rd National Meeting (2017)

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