When C3H8 burns completely in an excess of oxygen , the products formed are?

Structural, electronic, and thermodynamic properties of TiO$_{2}$/organic clusters: performance of DFTB method with different pa

Sladkaya [172]

A second-order extension of the Kohn-Sham total energy in density-functional theory (DFT) with respect to charge density fluctuations serves as the foundation for the density functional based tight binding (DFTB) approach.

What is DFTB method?

The density functional based tight binding (DFTB) electronic structure method was used to study the clusters of bare TiO2 and TiO2 with linked organic ligands modeling polyorganic composites used as photocatalytic materials.
The results were compared to those obtained from B3LYP/6-31G(d,p) calculations, semiempirical methods PM6 and PM7, and available experimental data.
It was discovered that the highly scalable DFTB approach produces outcomes that are nearly on the level of theory B3LYP/6-31G(d,p).
The trans3d set more accurately reproduces the energies of the composite material production in polycondensation processes, but the corrected version of the tiorg DFTB parameter set (tiorg-smooth) performs better for structural parameter estimations.
The tiorg-smooth and trans3d settings perform better than the matsci set in some way. Studies of adsorption complexes of bare TiO2 clusters can be conducted using the tiorg-smooth and matsci sets.

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4 0

1 year ago

An environmental scientist developed a new analytical method for the determination of cadmium (cd^2+) in mussels. To validate th

Anettt [7]

Answer:

The method is accurate in the calculation of the $Cu^+2$

Explanation:

As a first step we have to calculate the average concentration of $Cu^+2$ find it by the method.

$\frac{0.782+0.762+0.825+0.838+0.761 }{5} =0.79 ppm$

Then we have to find the standard deviation:

$s=\sqrt{\frac{1}{N-1}\sum_{i=1}^N(x_i-\bar{x})^2}=0.0359$

For the confidence interval we have to use the formula:

μ=Average± $\frac{t*s}{\sqrt{n} }$

Where:

t=t student constant with 95 % of confidence and 5 data=2.78

μ= $0.79$ ± $\frac{2.78*0.0359}{\sqrt{5} }$

upper limit: 0.84

lower limit: 0.75

If we compare the limits of the value obtanied by the method (Figure 1 Red line) with the reference material (Figure 1 blue line) we can see that the values obtained by the method are within the values suggested by the reference material. So, it's method is accurate.

7 0

3 years ago

Help! Need it ASAP! Is steam and vapour different? If they are then how are they different?

Alexxx [7]

Answer:

Explanation:

Water vapor is when water molecules are present in the air, while steam is water heated to the point that it turns into gas. In simplified science, both are referred to as the gaseous state of water. Steam is usually white or translucent in nature, while water vapor can be clear or translucent.

Steam is simply, water vapor. Hence, the key difference between steam and vapor is that steam is the gaseous state of water whereas vapor is the gaseous state of any substance. Moreover, steam is typically invisible while the vapor of some substances is colorful.

8 0

2 years ago

Read 2 more answers

Please help me equalize: PbO2 + MnSO4 + HNO3 = HMnO4 + PbSO4 + Pb(NO3)2 + H2O

Feliz [49]

Answer:

5PbO₂ + 2MnSO₄ + 6HNO₃ ⟶ 2PbSO₄ + 3Pb(NO₃)₂ + 2HMnO₄+ 2H₂O

Explanation:

PbO₂ + MnSO₄ + HNO₃ ⟶ HMnO₄ + PbSO₄ + Pb(NO₃)₂ + H₂O

It will be easiest to balance this equation by the ion-electron method.

1. Write the ionic equation

PbO₂ + Mn²⁺ + SO₄²⁻ + H⁺ + NO₃⁻ ⟶ H⁺ + MnO₄⁻ + Pb²⁺ + SO₄²⁻ + Pb²⁺ + NO₃⁻ + H₂O

2. Eliminate H⁺, H₂O, and spectator ions

PbO₂ + Mn²⁺ ⟶ MnO₄⁻ + Pb²⁺

3. Separate the skeleton equation into two half-reactions.

PbO₂ ⟶ Pb²⁺

Mn²⁺ ⟶ MnO₄⁻

4. Balance all atoms other than H and O

Done

5. Balance O by adding water molecules to the deficient side

PbO₂ ⟶ Pb²⁺ + 2H₂O

Mn²⁺ + 4H₂O ⟶ MnO₄⁻

6. Balance H by adding H⁺ ions to the deficient side.

PbO₂+ 4H⁺ ⟶ Pb²⁺ + 2H₂O

Mn²⁺ + 4H₂O ⟶ MnO₄⁻ + 8H⁺

7. Balance charge by adding electrons to the deficient side.

PbO₂+ 4H⁺ + 2e⁻ ⟶ Pb²⁺ + 2H₂O

Mn²⁺ + 4H₂O ⟶ MnO₄⁻ + 8H⁺ + 5e-

8. Multiply each half-reaction by a number to equalize the electrons transferred.

5 × [PbO₂+ 4H⁺ + 2e⁻ ⟶ Pb²⁺ + 2H₂O]

2 × [Mn²⁺ + 4H₂O ⟶ MnO₄⁻ + 8H⁺ + 5e⁻]

9. Add the two half-reactions.

5PbO₂+ 20H⁺ + 10e⁻ ⟶ 5Pb²⁺ + 10H₂O

2Mn²⁺ + 8H₂O ⟶ 2MnO₄⁻ + 16H⁺ + 10e⁻

5PbO₂ + 2Mn² + 8H₂O + 20H⁺ + 10e⁻⟶ 5Pb²⁺ + 2MnO₄⁻ + 10H₂O + 16H⁺ + 10e⁻

10. Cancel species that occur on each side of the equation

5PbO₂ + 2Mn² + 8H₂O + 20H⁺ + 10e⁻ ⟶ 5Pb²⁺ + 2MnO₄⁻ + 10H₂O + 16H⁺ + 10e⁻

becomes

5PbO₂ + 2Mn²⁺ + 4H⁺ ⟶ 5Pb²⁺ + 2MnO₄⁻ + 2H₂O

11. Add the missing spectator ions

5PbO₂ + 2Mn²⁺ + 4H⁺ ⟶ 5Pb²⁺ + 2MnO₄⁻ + 2H₂O

+ 2SO₄²⁻ + 4NO₃⁻ + 2H⁺ + 2NO₃⁻ +2SO₄²⁻ + 6NO₃⁻ + 2H⁺

becomes

5PbO₂ + 2MnSO₄ + 6HNO₃ ⟶ 2PbSO₄ + 3Pb(NO₃)₂ + 2HMnO₄ + 2H₂O

12. Check that all atoms are balanced.

$\begin{array}{ccc}\textbf{Atom} & \textbf{On the left} & \textbf{On the right}\\\text{Pb} & 5 & 5\\\text{O} & 36 & 36\\\text{S} & 2 & 2\\\text{H} & 6 & 6\\\text{N} & 6 & 6\\\end{array}$

Everything checks. The balanced equation is

5PbO₂ + 2MnSO₄ + 6HNO₃ ⟶ 2PbSO₄ + 3Pb(NO₃)₂ + 2HMnO₄ + 2H₂O

7 0

3 years ago

An atom has 5 electrons in its outer shell. how many unpaired electrons does it have?

lions [1.4K]

The answer is 3.

That is if an atom has 5 electrons in its outer shell, then it has 3 unpaired electrons.

As the outer shell have 1 s orbital too and that is fully filled and not available for bonding so it must have 3 unpaired electrons.

So the number of unpaired electrons in an atom that is having 5 electrons in its outer shell is 3.

4 0

2 years ago