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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.
The polarizable continuum model (PCM) is a commonly used method in computational chemistry to model solvation effects. If it is necessary to consider each solvent molecule as a separate molecule, the computational cost of modeling a solvent-mediated chemical reaction would grow prohibitively high.
Implicit solvation (sometimes termed continuum solvation) is a method to represent solvent as a continuous medium instead of individual “explicit” solvent molecules, most often used in molecular dynamics simulations and in other applications of molecular mechanics.
If the solvent were an ideal conductor the electric potential on the cavity surface must disappear. If the distribution of the electric charge in the molecule is known, e.g. from quantum chemistry, then it is possible to calculate the charge q ∗ {\displaystyle q^{*}} on the surface segments.
In chemistry, solvent effects are the influence of a solvent on chemical reactivity or molecular associations. Solvents can have an effect on solubility , stability and reaction rates and choosing the appropriate solvent allows for thermodynamic and kinetic control over a chemical reaction.
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 .
In a polymer solution, a theta solvent (or θ solvent) is a solvent in which polymer coils act like ideal chains, assuming exactly their random walk coil dimensions. [ clarification needed ] Therefore, the Mark–Houwink equation exponent is 1 / 2 {\displaystyle 1/2} in a theta solvent.
Symbolab is an answer engine [1] that provides step-by-step solutions to mathematical problems in a range of subjects. [2] It was originally developed by Israeli start-up company EqsQuest Ltd., under whom it was released for public use in 2011.