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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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Oksana_A [137]
The angular velocity, ω= 
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2 years ago
What is the acceleration of the box?
worty [1.4K]

Answer:

a=4,32m/s^2

Explanation:

Fnet = F1 - F2

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2 years ago
A 19.12 g mixture of Ca(NO3)2 and KCl is dissolved in 149 g of water. The freezing point of the solution was measured as −5.77 ∘
hichkok12 [17]

Answer:

The mass percentage of calcium nitrate is 31.23%.

Explanation:

Let the the mass of calcium nitrate be x and mass of potassium chloride be y.

Total mass of  mixture = 19.12 g

x + y = 19.12 g..(1)

Mass of solvent = 149 g = 0.149 kg

Freezing point of the solution,T_f = -5.77 °C

Molal freezing constant of water = 1.86 °C/m =1.86 °C/(mol/kg)

The van't Hoff factor contribution by calcium nitrate is 3 and by potassium chloride is 2.So:

i = 3

i' = 2

Freezing point of water = T = 0°C

\Delta T_f=T-T_f=0^oC-(-5.77^oC)=5.77^oC

\Delta T_f=i\times K_f\times m

Molality=m(mol/kg)=\frac{\text{Moles of solute}}{\text{mass of solvent in kg}}

5.77^oC=1.86 ^oC/(mol/kg)\times (\frac{ i\times x}{164 g/mol\times 0.149 kg}+\frac{i'\times y}{74.5 g/mol0.149 kg})

On solving we get:

\frac{3x}{164 g/mol}+\frac{2x}{74.5 g/mol}=0.4622 mol....(2)

Solving equation (1)(2) for x and y:

x =5.973 g

y = 13.147 g

Mass percent of Ca(NO_3)_2 in the mixture:

\frac{x}{19.21 g}\times 100=\frac{5.973 g}{19.12 g}=31.23\%

The mass percentage of calcium nitrate is 31.23%.

5 0
3 years ago
The scientific method is a process that scientists use to understand the physical world. Place the four basic steps of the scien
prisoha [69]

Answer:

a,b,c,e,d

Explanation:

The typical approach by the scientists use to understand the physical world includes the following steps:

Identifying a Problem

Researching the Information

Stating a Hypothesis (Possible Solution)

Testing the Hypothesis

Gather Data

Analysis of the Data

Stating a Conclusion

Publishing the Result

Therefore, according to the question the correct order would be:

a. Observation of physical world.

b. Create hypothesis about observation.

c. Test consequences of hypothesis

e. Adjust results to agree with popular opinion

d. Report outcome

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