title: Effects of solution composition on the theoretical prediction of ice nucleation kinetics and thermodynamics.
abstract: Predictions by various mathematical models of intracellular ice formation (proposed by Mazur, Pitt, Toner, and Karlsson, respectively) were compared to the known thermodynamic and kinetic behavior of ice formation in supercooled aqueous systems. The older models (Mazur, Pitt, and Toner) significantly underestimated the magnitude of colligative nonequilibrium freezing point depression in response to increased concentration of solutes, such as salts or cryoprotectants. Furthermore, kinetics predicted using phenomenological models (by Mazur and Pitt) exhibited implausible temperature-dependence, with the probability of intracellular ice formation being allowed to increase even at temperatures below the glass transition point. The Toner model, on the other hand, produced invalid results at temperatures below -48 degrees C. The Karlsson model was the only model that consistently yielded realistic predictions over a wide range of temperatures and solute concentrations, especially in the presence of cryoprotectant additives. To facilitate adoption of the Karlsson model of intracellular ice nucleation, the complete set of model equations has been collected and described in detail.
authors.affiliation: Department of Mechanical Engineering, Villanova University, 800 Lancaster Avenue, Villanova, PA 19085-1681, USA. karlsson@alum.mit.edu
authors.forename: Jens O M
authors.initials: JO
authors.lastname: Karlsson
mesh_terms: D000818:Animals; D015925:Cryopreservation / Q000379:methods*; D003451:Cryoprotective Agents / Q000494:pharmacology*; D005615:Freezing; D006801:Humans; D007053:Ice; D007700:Kinetics; D012492:Salts / Q000737:chemistry; D012996:Solutions; D013269:Stochastic Processes; D013696:Temperature; D013816:Thermodynamics; D014783:Viscosity
chemical_list: D003451:Cryoprotective Agents; D007053:Ice; D012492:Salts; D012996:Solutions