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  2. Solvent model - Wikipedia

    en.wikipedia.org/wiki/Solvent_model

    In computational chemistry, a solvent model is a computational method that accounts for the behavior of solvated condensed phases. [1] [2] [3] Solvent models enable simulations and thermodynamic calculations applicable to reactions and processes which take place in solution.

  3. Implicit solvation - Wikipedia

    en.wikipedia.org/wiki/Implicit_solvation

    The implicit solvation model breaks down when solvent molecules associate strongly with binding cavities in a protein, so that the protein and the solvent molecules form a continuous solid body. [39] On the other hand, this model can be successfully applied for describing transfer from water to the fluid lipid bilayer. [40]

  4. 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.

  5. Solution polymerization - Wikipedia

    en.wikipedia.org/wiki/Solution_polymerization

    Once the desired conversion is reached, excess solvent must be removed to obtain the pure polymer. 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.

  6. 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.

  7. Theta solvent - Wikipedia

    en.wikipedia.org/wiki/Theta_solvent

    B reflects the energy of binary interactions between solvent molecules and segments of polymer chain. When B > 0, the solvent is "good," and when B < 0, the solvent is "poor". For a theta solvent, the second virial coefficient is zero because the excess chemical potential is zero; otherwise it would fall outside the definition of a theta solvent.

  8. Flory–Huggins solution theory - Wikipedia

    en.wikipedia.org/wiki/Flory–Huggins_solution...

    The solvent-rich phase is close to pure solvent. This is peculiar to polymers, a mixture of small molecules can be approximated using the Flory–Huggins expression with N = 1 {\displaystyle N=1} , and then ϕ cp = 1 / 2 {\displaystyle \phi _{\text{cp}}=1/2} and both coexisting phases are far from pure.

  9. Poisson–Boltzmann equation - Wikipedia

    en.wikipedia.org/wiki/Poisson–Boltzmann_equation

    The Poisson–Boltzmann equation describes a model proposed independently by Louis Georges Gouy and David Leonard Chapman in 1910 and 1913, respectively. [3] In the Gouy-Chapman model, a charged solid comes into contact with an ionic solution, creating a layer of surface charges and counter-ions or double layer. [4]