with increasing amount of Si on the A site. This could be attributed to the charge density shown in Table 1. In particular, the substitution of Al with Si increases the total charge density of the A element atoms from 33.248 to 43.024. However, the total charge density of M and X element atoms does not change significantly, i.e. only from 45.72 to 45.192, and 105.024 to 103.776, respectively. The increased charge density makes the M-A bonds stronger, and thus harder to stretch. The Young’s…
the idea of the atom had been in the works for many years. From ideas from Leucippus and Democritus from ancient Greece who first proposed the idea of 'atomos ' meaning “inadvisable”. This idea of the smallest thing went on largely ignored in favour of the ideas of Aristotle, Plato, and Socrates who believed that everything was made up of five different elements; air, water, earth, fire, and ether. In the 1700 's, Sir Isaac Newton brought back the idea of 'atomos ' or, the atom, making up…
hexagonal unit cell. This is one of the difference between the α-FEPO4 and β -FEPO4 as their symmetrical structure is widely different, with one being trigonal and one being hexagonal. With that being said, both have the same extent of symmetry and the Atoms drawings are rather similar. Furthermore, the rise in temperature shows that the cell parameter will increase greatly, leading to an overall increase in volume. However, as temperature rises up to 980K, there will be a great difference in…
Molecular Orbital Theory (MOT): The VBT has two most serious limitations that electrons in molecules are treated as though they are localised and behave almost as they did in isolated atoms. This means that the VBT retains the individuality of the atoms composing molecule. The problem can be resolved by introducing the resonance theory, but with the loss of the original valence bond model. Hund[ 173], Mulliken[ 174], Van Vleck[175], Helsenberg[176], Jones[ 177] and others suggested an alternate…
Where: i : Number of components Xi : Mole fraction for component ( i ) Cn: The total number of carbon atoms Cni : Number of carbon atoms for component ( i ) H_m = ∑ X_i H_mi (3.3) Where: Hm: The total number of hydrogen atoms Hmi : Number of hydrogen atoms for component ( i ) CnHm : The average chemical formula So the average chemical formula has been determined as in the above equations according to the percentages…
An atomic model is a proposed idea of what an arrangement of an atom thought to look like. Many physicists such as Dalton Billiard, J.J. Thomson, Ernest Rutherford, and Neil Bohr proposed these ideas and made models based on their own ideas. Out of these physicists, Ernest Rutherford’s planetary model is the most generally accepted atomic model. Ernest Rutherford is a New Zealand born son to a Scottish wheelwright and an English schoolteacher. He did well in school academically as a child and…
compound depends on the electronic charge existing on the chelating atoms [20]. The charge changes with basis set presumably occur due to polarization. The charge distribution of (C20 is 0.0783, B 32 is 0.6508) atom is decreasing trend for (Si32 is 1.1538) atom. Considering all the methods and basis set used in the atomic charge calculation exhibit a substantial negative charge of oxygen and nitrogen atoms, which are donor atom as shown in Fig 4. The Mulliken atomic charges of fullerene C19X…
(1.1)[22] Where, MW1 and X1 are the molecular weight and mole fraction, respectively. Compound Chemical Composition Symbol (for calculations) Molecular Weight Critical Pressure (psi) Critical Temp. (R) Methane CH4 C1 16.04 673 344 iso-Butane C4H10 i-C4 58.12 530 733 n-Butane C4H10 n-C5 58.12 551 766 Propane C3H8 C3 44.09 618 666 Ethane C2H6 C2 30.07 709 550 n-Hexane C6H14 n-C8 86.17 434 915 n-Heptane C7H16 n-C9 100.2 397 973 iso-Pentane C5H12 i-C6 72.15 482 830 n-Pentane C5H12 n-C7 72.15 485 847…
The Grignard reagent is an organometallic compound as it includes a carbon atom bound to magnesium and a halide, usually bromine. Grignard reagents must be prepared in an aprotic solvent, such as diethyl ether or THF, because the MgBr, is a strong nucleophile and thus a strong base. There must also not be any water in the solution…
structure creates alteration in their appearances, properties and functions. There are two types of fatty acids, saturated fatty acids and unsaturated fatty acids. Saturated fatty acids have no double bond and hence carbon hold all the hydrogen atoms…