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  2. Implicit solvation - Wikipedia

    en.wikipedia.org/wiki/Implicit_solvation

    The free energy of solvation of a solute molecule in the simplest ASA-based method is given by: = where is the accessible surface area of atom i, and is solvation parameter of atom i, i.e., a contribution to the free energy of solvation of the particular atom i per surface unit area.

  3. Polarizable continuum model - Wikipedia

    en.wikipedia.org/wiki/Polarizable_continuum_model

    The polarizable continuum model (PCM) is a commonly used method in computational chemistry to model solvation effects. When it is necessary to consider each solvent molecule as a separate molecule, the computational cost of modeling a solvent-mediated chemical reaction becomes prohibitively high.

  4. Solvation - Wikipedia

    en.wikipedia.org/wiki/Solvation

    Strong solvent–solute interactions make the process of solvation more favorable. One way to compare how favorable the dissolution of a solute is in different solvents is to consider the free energy of transfer. The free energy of transfer quantifies the free energy difference between dilute solutions of a solute in two different solvents.

  5. Gerris (software) - Wikipedia

    en.wikipedia.org/wiki/Gerris_(software)

    Following a redesign of the software organization, Gerris became Basilisk, [17] which allows one to develop its own solver (not necessarily in fluid mechanics) using various data structures (including of course the quadtree/octree) and optimized operators for iteration, derivation, etc. Solvers are written in C, more specifically the Basilisk C ...

  6. Solution polymerization - Wikipedia

    en.wikipedia.org/wiki/Solution_polymerization

    Accordingly, solution polymerization is primarily used in applications where the presence of a solvent is desired anyway, as is the case for varnish and adhesives. Another application of polymer solutions includes the manufacture of fibers by wet or dry spinning or plastic films .

  7. Solvent - Wikipedia

    en.wikipedia.org/wiki/Solvent

    A solvent dissolves a solute, resulting in a solution Ethyl acetate, a nail polish solvent. [1] A solvent (from the Latin solvō, "loosen, untie, solve") is a substance that dissolves a solute, resulting in a solution. A solvent is usually a liquid but can also be a solid, a gas, or a supercritical fluid.

  8. Hansen solubility parameter - Wikipedia

    en.wikipedia.org/wiki/Hansen_solubility_parameter

    The nearer two molecules are in this three-dimensional space, the more likely they are to dissolve into each other. To determine if the parameters of two molecules (usually a solvent and a polymer) are within range, a value called interaction radius is given to the substance being dissolved. This value determines the radius of the sphere in ...

  9. Boiling-point elevation - Wikipedia

    en.wikipedia.org/wiki/Boiling-point_elevation

    Boiling-point elevation is the phenomenon whereby the boiling point of a liquid (a solvent) will be higher when another compound is added, meaning that a solution has a higher boiling point than a pure solvent. This happens whenever a non-volatile solute, such as a salt, is added to a pure solvent, such as water.