What's the difference between inplicit and explicit solvent?

1 answer:

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Hi

<span>Explicit- and implicit-solvent molecular dynamics simulations are performed to study complexation in two polyelectrolyte systems: poly(styrene sulfonate)/poly(allylamine hydrochloride) (PSS/PAH) and poly(acrylic acid)/poly(allylamine hydrochloride) (PAA/PAH). Both these systems have been used in layer-by-layer assembly of polyelectrolyte films, with the first of these typically yielding linear growth in film thickness with increasing numbers of layers and the second yielding exponential growth. In both the systems, the polyelectrolytes have the same number of monomers and are present in stoichiometric proportion, and water is used as solvent. Simulations give important insights into the structure and composition of the complexes. We found that the PSS/PAH complex is more compact and has a smaller fraction of water than the PAA/PAH complex due to the presence of phenyl rings in the PSS chain and the hydrophilic nature of the charged group in the PAA chain. Either an increase in salt concentration or a decrease in partial charge fraction increases swelling and the water content in the complex. To overcome the computational limitations associated with the explicit-solvent simulation, a simple strategy to develop the force field for an implicit-solvent simulation is proposed. In the absence of salt and for fully charged polyelectrolytes, the radius-of-gyration and the various radial distribution functions predicted by the implicit-solvent simulation match well with those predicted by the explicit-solvent simulation, while reasonable agreement is obtained in the other cases. The implicit-solvent simulation was performed for bigger system sizes, and we observed trends similar to those observed for smaller system sizes, suggesting that the simulation results are independent of system size.
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You are sitting 3 m away from you friend who is watching a cartoon on his phone. How will the sound itensity change if your frie

Zinaida [17]

Answer:

Decreases by $3.6 \times 10^{-3}$ times

Explanation:

The intensity of a sound is defined as the energy of the sound that is flowing in an unit time through the unit area which is in the direction that is perpendicular to the direction of the sound waves movement.

The intensity of energy is described by the inverse square law. It states that the intensity varies inversely with the distance square of the distance.

In other words, the sound intensity decreases as inversely proportional to the squared of the distance. i.e. $\frac{1}{r^2}$