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astra-53 [7]
2 years ago
13

What's the difference between inplicit and explicit solvent?

Physics
1 answer:
marusya05 [52]2 years ago
7 0
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.
</span>
hope it helps..
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A key falls from a bridge that is 44 m above the water. It falls directly into a model boat, moving with constant velocity, that
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Which choice displays the effects of quantum mechanics? check all that apply
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2 years ago
An iron anchor of density 7810.00 kg/m^3 appears 252 N lighter in water than in air. (a) What is the volume of the anchor?(b) Ho
RSB [31]

Answer:

(a)The volume of the iron anchor = 25.2 m³

<em>(b)The mass of iron = 196812 kg</em>

Explanation:

<em>Density:</em> This is the ratio of the mass of a body to its volume. The S.I unit of density is <em>kg/m³</em>

(a)

From Archimedes principle, the iron will displace a volume of water that is equal to its volume. And the weight of water displaced is equal to loss in weight or upthrust.

Therefore, Upthrust = lost in weight = weight of water displace.

Therefore, Volume of the iron = mass of water displace/density of water

Vi = m₁/D₁........................... Equation 1

Where Vi = volume of iron, m₁ = mass of water displaced, D₁ = Density of water.

<em>Given: upthrust = 252 N, ∴ m₁ = 252/10 = 25.2 kg.</em>

<em>Constant: D₁ = 1.0 kg/m³</em>

<em>Substituting these values into equation 1,</em>

Vi = 25.2/1.0

Vi = 25.2 m³

Therefore the volume of the iron anchor = 25.2 m³

(b)

<em>Density of the iron = mass of the iron/volume of the iron.</em>

<em>Therefore, Mass of the iron = Density of the iron × volume of the iron...........................................equation 2</em>

<em>Given: Density of the iron = 7810 kg/m³, Volume of the iron =  25.2 m³</em>

<em>Substituting these values into equation 2,</em>

<em>Mass of the iron = 7810×25.2</em>

<em>Mass of the iron  = 196812 kg.</em>

<em>Therefore the mass of iron = 196812 kg</em>

8 0
3 years ago
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