title: Comparison of non-ideal solution theories for multi-solute solutions in cryobiology and tabulation of required coefficients.
abstract: Thermodynamic solution theories allow the prediction of chemical potentials in solutions of known composition. In cryobiology, such models are a critical component of many mathematical models that are used to simulate the biophysical processes occurring in cells and tissues during cryopreservation. A number of solution theories, both thermodynamically ideal and non-ideal, have been proposed for use with cryobiological solutions. In this work, we have evaluated two non-ideal solution theories for predicting water chemical potential (i.e. osmolality) in multi-solute solutions relevant to cryobiology: the Elliott et al. form of the multi-solute osmotic virial equation, and the Kleinhans and Mazur freezing point summation model. These two solution theories require fitting to only single-solute data, although they can make predictions in multi-solute solutions. The predictions of these non-ideal solution theories were compared to predictions made using ideal dilute assumptions and to available literature multi-solute experimental osmometric data. A single, consistent set of literature single-solute solution data was used to fit for the required solute-specific coefficients for each of the non-ideal models. Our results indicate that the two non-ideal solution theories have similar overall performance, and both give more accurate predictions than ideal models. These results can be used to select between the non-ideal models for a specific multi-solute solution, and the updated coefficients provided in this work can be used to make the desired predictions.
authors.affiliation: Department of Chemical and Materials Engineering, University of Alberta, Edmonton, Alberta T6G 2V4, Canada; Department of Laboratory Medicine and Pathology, University of Alberta, Edmonton, Alberta T6G 2R8, Canada.
authors.forename: Michal W
authors.initials: MW
authors.lastname: Zielinski
authors.affiliation: Department of Laboratory Medicine and Pathology, University of Alberta, Edmonton, Alberta T6G 2R8, Canada.
authors.forename: Locksley E
authors.initials: LE
authors.lastname: McGann
authors.affiliation: Department of Chemical and Materials Engineering, University of Alberta, Edmonton, Alberta T6G 2V4, Canada.
authors.forename: John A
authors.initials: JA
authors.lastname: Nychka
authors.affiliation: Department of Chemical and Materials Engineering, University of Alberta, Edmonton, Alberta T6G 2V4, Canada; Department of Laboratory Medicine and Pathology, University of Alberta, Edmonton, Alberta T6G 2R8, Canada. Electronic address: janet.elliott@ualberta.ca.
authors.forename: Janet A W
authors.initials: JA
authors.lastname: Elliott
mesh_terms: D000465:Algorithms; D015925:Cryopreservation; D003451:Cryoprotective Agents / Q000737:chemistry*; D005615:Freezing; D008956:Models, Chemical; D009994:Osmolar Concentration; D012996:Solutions / Q000737:chemistry*; D013816:Thermodynamics; D044366:Transition Temperature; D014867:Water / Q000737:chemistry
chemical_list: D003451:Cryoprotective Agents; D012996:Solutions; D014867:Water
keywords: Freezing point summation; Modeling; Osmolality; Osmotic virial; Thermodynamics