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2 years ago

What's the difference between inplicit and explicit solvent?

1 answer:

7 0

Hi

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.

hope it helps..

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A train whistle is heard at 300 Hz as the train approaches town. The train cuts its speed in half as it nears the station, and t

givi [52]

To solve this problem we will apply the concepts related to the Doppler effect. The Doppler effect is the change in the perceived frequency of any wave movement when the emitter, or focus of waves, and the receiver, or observer, move relative to each other. Mathematically it can be described as,

$f = f_0 (\frac{v_0}{v_0-v})$

Here,

$f_0$ = Frequency of Source

$v_s$ = Speed of sound

f = Frequency heard before slowing down

f' = Frequency heard after slowing down

v = Speed of the train before slowing down

So if the speed of the train after slowing down will be v/2, we can do a system equation of 2x2 at the two moments, then,

The first equation is,

$f = f_0 (\frac{v_0}{v_0-v})$

$300 = f_0 (\frac{343}{343-v})$

$(300*343) - 300v = 343f_0$

Now the second expression will be,

$f' = f_0 (\frac{v_0}{v_0-v/2})$

$290 = (343)(\frac{v_0}{343-v/2})$

$290*343-145v = 343f_0$

Dividing the two expression we have,

$\frac{(300*343) - 300v}{290*343-145v} = 1$

Solving for v, we have,

$v = 22.12m/s$

Therefore the speed of the train before and after slowing down is 22.12m/s

6 0

3 years ago

Can Someone please help me! What is deposition

7nadin3 [17]

Deposition is the geological process in which sediments, soil and rocks are added to a landform or landmass

7 0

2 years ago

Read 2 more answers

Does the image above correctly illustrate how the coriolis effect impacts global winds?

Sedbober [7]

Yes the winds are moving in a straight line

6 0

3 years ago

Many minerals, such as silver, are good conductors of heat and electricity. How could technology use this property to help ident

Aleks [24]

Answer:

This property could be used to create technologically-advanced tools or machines that could easily locate the mineral deposits.

Explanation:

Mineral deposits are hard to find, unless you have the skill or the proper tools in locating them. This is the reason why many people are mining in order to explore the different areas where they could find these deposits.

If one would consider the property of minerals, such as being good conductors of heat and electricity, then they could create a tool or machine that would aid in their exploration. Inventors could probably come up with a sensitive detector which signals when it reaches an area of high heat and electric conductivity. Since most minerals such as gold, silver, copper, galena, bornite and the like have this property, then miners will have a lesser amount of time looking for them.

If this technology will be implemented, though, regulation policy must be strictly implemented because it might lead to over-mining thus leading to the depletion of mineral deposits.

3 0

3 years ago

What is the length of a string with a mass of 2.5 kg, with a

TiliK225 [7]

Answer:

.5 m

Explanation:

It is correct lol.

8 0

3 years ago