MM 3320 : Report Mass Spectrometry Submitted by Velu K R NA12B033 Introduction Mass Spectroscopy is an instrumental method for identifying the chemical constitution of a substance by means of the separation of gaseous ions according to their differing mass and charge. This method helps identify the amount and type of chemicals present
Dev 2.11 R-Squared 0.9654 Mean 58.46 Adeq Precision 14.255 C.V. % 3.61 Co-efficient of determination (R2) for the model is 0.964, it indicates 96.54% of variability and the result of chance is 3.46%. Co-efficient of Variation (C.V) is found to be 3.61%, the reliability of the experiment is based on the lower value of C.V. An adequate precision value of 14.255 which was greater than 4, it indicates an adequate signal, and hence this model can be used to navigate the design space. Table 5 Data obtained from ANOVA ( Ethanol) Factor Coefficient Estimate df Standard Error 95% CI Low 95% CI High VIF Intercept 59.68 1 1.22 56.55 62.81 A-Temperature -6.84 1 0.75 -8.76 -4.92 1.00 B-pH 2.20 1 0.75 0.28 4.12 1.00 C-Stirrer Speed -0.39 1 0.75 -2.31 1.53 1.00 AB 3.77 1 1.05 1.06 6.48 1.00 AC 0.22 1 1.05 -2.49 2.93 1.00 BC 0.46 1 1.05 -3.18 2.25 1.00 A2 3.44 1 1.10 0.61 6.26 1.01 B2 -5.01 1 1.10 -7.84 -2.19 1.01 C2 -0.71 1 1.10 -3.53 2.12 1.01 Final equation in terms of actual
5. X-RAY DIFFRACTION * XRD is a technique generally employed for elucidation of structure and arrangement of atoms. * In our analysis the structure of GO and PCBGO were analysed. * The interlayer distance upon functionalisation can be seen as a function of oxidation. * The d spacing for GO= 7.82 Å from diffraction peak at 11.4 degrees for the  plane.
9. Theoretical yield = (150.22g/mol)(3.5 x 10^-3 mol of nucleophile) = 0.525 g Actual yield = 0.441 g, Percent Yield = (0.441g/0.525g) x 100% = 84% 10. Percent recovery from recrystallization = (0.172g/0.441g) x 100% = 38% 11. The data table provided below obtained melting point data for crude product, pure product, and mixture of the pure and 4-tert-butylbenzyl. 12.
Explain how the molarity of the standard solution (the alkali) was calculated in the experiment (equation explained)- 0.1M of NaOH is required, this equation will be used: Concentration = moles volume This will be rearranged to find the moles needed to carry out the experiment. The concentration of the experiment using NaOH is 0.1M so we just need to rearrange the equation to find the molarity. 0.1 x 0.250 = 0.0250 moles Number of moles = mass RFM 0.0250 = mass 40 0.0250 x 40 + 1g (mass) Explain how this enabled you to accurately calculate the molarity of each acid used in the titrations (equations explained)- Molarity of the acid = molarity of the alkali x volume of the alkali volume of acid Firstly we will need to add up all of the volumes found within the titration to find an average: 13.10+13.20+13.10= 13.13 Molarity of Ethanoic acid = 0.1 x 25.00 = 0.190 mol dm-3 13.13 Molarity of Hydrochloric acid = 1.0 x 25.00 = 0.077 mol dm-3 32.53
Theory The equation that was used in this experiment is % recovered = 100% X m/m0. M = mass of copper recovered and m0 = mass of original copper sample. In order to get the percent recovered, the mass must be determined. After determining the mass, you have to multiply 100% by the mass of the copper recovered divided by the mass of the original copper sample. Experiment 1.
The computationally predicted various possible conformers are shown in Fig.1. The optimized molecular structure with the numbering of atoms of the title compound is shown in Fig.2. The most optimized structural parameters were also calculated by HF/ B3LYP have depicted in Table 1. Quantum chemical calculation was used for NFN to carry out the optimized geometry with the Gaussian 03W program  using the B3LYP and HF functional [11, 12] supplemented with standard 3-21G* basis set. Density Functional Theory (DFT) can be used to calculate an accurate electronic structure, HOMO and LUMO energies, Mulliken charge of atoms, energetic orbital levels, global hardness, chemical potential and electrophilicity of systems, and finally chemical, physical properties of fullerene and fullerene derivatives.
1.1 Kinetic model To determine the second order reaction rate constant of Acesulfame K with the different transient species studied, two pairs of independent competition kinetics were established for each transient: Acesulfame K with Ibuprofen and Acesulfame K with Atrazine. Assuming the first pair of competition for the hydroxyl radical generated by NaNO3 irradiation is Acesulfame and Ibuprofen (ACE, IBP). Their respective reaction rates are (M s-1): (Eq. 6) (Eq. 7) With k and k’ the second order reaction rates of Ace and IBP with HO•.
The average result obtained was 22.5% and is close to it’s literal value. This experiment had also proven to have shown effective transfer of solids and liquids as values of 1st and 2nd results, namely 22% and 23% respectively, were similar thereby showing consistency in results. Phenolphthalein indicator was proven to be more suitable as an indicator as compared to Methyl Orange in this experiment. This is because Phenolphthalein the pH values of HCl involved in this experiment were in range of the pH values that bring about colour change in the Phenolphthalein indicators. (Approximate pH ranges for color change: 8.0-9.8) Low pH values are preferred for Methyl Orange.
Hanusaiodine solution, chloroform, aqueous KI solution, Na2S2O3 and starch solution is used. Iodine values are calculated from the difference between the blankaand the test sample. For peroxide value; solvent mixture (composed of glacial acetic acid and chloroform), saturated KI solution, starch solution and Na2S2O3 soluiton is used and peroxideavalues are calculated. A) Iodine Value: Hanus Method In this experiment, iodine value of sun floweraoil was determined with Hanusamethod. Blank solution and oil solution were prepared and stored in the dark.