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Initial Laboratory report submitted to Engr. Ramelito C. Agapay Instructor, ChE 512L
1. Objectives: Determine the reaction order and the rate constant for the ethyactetate-NaOH reaction system using plug flow reactor data. Determine the variation of conversion with respect to the residence time. Verify the temperature dependence of the reaction rate constant.
2. Results and Discussion 2.1 Reaction Order and Rate Constant Determination The reaction order for the ethyl acetate-NaOH reaction system was determined by a trial and error method. It was assumed that the reaction system follows an elementary reaction. For elementary reactions, the rate equation corresponds to the stoichiometric equation. For ethyl acetate-NaOH reaction given by the stoichiometric equation C2H5O2CCH3 + Na-OH CH3CO2Na + H3C-CH2-OH, the rate equation is -rA=kCACB. So in theory, it is expected that the reaction order is 2. The experiment was carried at a constant temperature of 31C and flow rates were varied. Table 1 below shows the different reaction orders and the corresponding coefficient of variation (r2).
Table 1. Different reaction orders with corresponding coefficient of variation (r2). Order Zero First Second(CAOCBO) Rate Kinetics -rA=k -rA=kCA -rA=kCACB Plot CA vs t ln(CA/CAO) vs t ln(M-Xa)/M(1-Xa) vs t Coefficient of variation (r2) 0.9200 0.9256 0.9277
Note: Refer to Appendix A for the plots of the different rate kinetics.
The correlation coefficient describes how the equation best represents the data and the highest attainable correlation coefficient value is 1 (Bluman, 2004). From table 1, it can be observed that the reaction order is 2 since it has the highest coefficient of variation which is 0.9277. The experimental results agrees with the theory justified by the highest coefficient of variation of the rate equation -rA=kCACB in which (CAOCBO).
2.2 Variation of Conversion with respect to the residence time Figure 1 below shows the variation of conversion of NaOH (Xa) as calculated from the initial and final concentrations plotted against residence time (t).
0.505 0.5 0.495 0.49 0.485 Xa 0.48 0.475 0.47 0.465 0.46 0.455 0.00 50.00 100.00 t(sec) Figure 1. Plot of NaOH conversion (Xa) versus residence time (t) 150.00 200.00 250.00
From figure 1, it can be observed that the conversion of NaoH increases with increasing residence time. It is because, as residence time is increased, reactants are made to stay longer in the reactor, allowing more time for interaction leading to increased formation of the product or increased conversion. It can be explained by the equation xa = 1- (Ca/Cao).
2.3 Verification of Temperature Dependency on Rate Constant The temperature dependence of the reaction rate constant was investigated by varying the reaction temperature while setting the flow rates of the NaOH and ethyl acetate constant. A plot of ln k against 1/T was also constructed to obtain the value of the activation energy of the reaction.
Table 2. Values of the reaction rate constant at different temperatures. Temperature (C) 31.0 41.0 55.0 k (L/mol-s) 0.077637 0.095094 0.113978
From table 2, it can be observed that the reaction rate constant (k) is increased with increasing temperature. It is because, as the temperature is increased, the kinetic energy of the molecules is also increased allowing frequent collision between reactant molecules, thus the rate of reaction is also increased which is just directly proportional to the reaction rate constant at constant concentrations.
2.5 2 1.5 ln k 1 0.5 0 0.003 y = -1522.2x + 6.5871 R = 0.9937
0.00305
0.0031
0.00315
0.0032
0.00325
0.0033
0.00335
Based on figure 2, it can be seen that lnk is inversely proportional with 1/T which is in accordance with the Arrhenius Law. With different temperatures but same concentration, Arrhenius Law states that
( )
( *
provided that the activation energy (E) stays constant. From the equation of the trendline, the slope which corresponds to E/R was used to calculate the activation energy. The activation energy obtained was 12,655.57 J/mol.
Table A.4 Data at constant T and varying flowrates (C1) and constant flowrates with different T (C2)
Tf(C) Tf (K) NaOH (mL/min) EtOAc (mL/min) (L/sec) t(sec) 0 Trial 1 Trial 2 Trial 3 Trial 4 31 30 31 30 304.15 303.15 304.15 303.15 70 130 190 250 40 74 109 143 0.00183 0.00340 0.00498 0.00655 218.18 117.65 80.27 61.07 11.40 15.40 6.00 11.00 16.00 19.70 3.00 6.70 10.20 14.30 18.60 17.50 15.40 19.40 9.90 14.80 19.70 23.40 6.70 10.20 14.30 18.60 23.60 22.00 4.00 4.00 3.90 3.80 3.70 3.70 3.70 3.50 4.10 4.30 5.00 4.50 0.04312 0.04312 0.04398 0.04484 0.04570 0.04570 0.04570 0.04743 0.04225 0.04053 0.03449 0.03880 VNaOH,I (mL) VNaOH,f (mL) VNaOH,used (mL) CNaOH,eff (mol/L) CNaOH,ave (mol/L) 0.08623 0.04312 0.04441 0.04570 0.04657
Trial 1 Trial 2
41 55
0.04139 0.03665
0.04700 0.04650 0.04600 0.04550 Ca(mol/L) 0.04500 0.04450 0.04400 0.04350 0.04300 0.04250 0.0000 50.0000 100.0000 150.0000 200.0000 250.0000 t(sec) . y = -2E-05x + 0.0474 R = 0.92
-0.61 0.0000 -0.62 -0.63 -0.64 -0.65 -0.66 -0.67 -0.68 -0.69 -0.7 -0.71
50.0000
100.0000
150.0000
200.0000
250.0000
ln(Ca/Cao)
Plot of ln (M-Xa)/M(1-Xa)
lnM-Xa/M(1-Xa)
0.35 0.34 0.33 0.32 0.31 0.00 50.00 100.00 t(sec) 150.00 200.00 250.00
31 30 31 30 41
40 74 109 143
250 55
143 0.575
B.3 Verification of Temperature Dependency on Rate Constant Table B.3 Data for the calculation of activation energy
Tf(C) 30 41 55 1/Tave 0.003299 0.003183 0.003047 ln k -2.55571 -2.35289 -2.17175
Appendix C. Sample Calculations: C. 1 Calculation of initial concentration of NaOH solution (using KHP) ( * ( * ( * ( ) ( * ( *
) (
) (
) (
) (
) * ( ) (
( ) ) ( )
)(
)+
*(
) (
) (
)+
m=slope=0.0003=(CEtOAc,i-CNaOH,i)k ( ) ( )
) (