Conversion calculation

In conversion calculations between the state functions temperature (Tj, pressure (p) and volume (V), the ideal gas law states that... 

Styrene conversion calculated by this equation and styrene conversion obtained for runs 12-15 by gravimetric methods were in good agreement. In general, the gravimetric technique was 1 to 5% points greater than conversions calculated using the GPC data. 

As shown in [30], the maximum achievable efficiency of solar-to-chemical energy conversion (calculated with respect to Gibbs free energy) is ca. 60% for the thermocatalytic method and ca. 30% for the photocatalytic method. 

Figs. 1 (A) and (B) show the conversion of CH4 and the product selectivitics obtained in the presence and absence of H, over the Fcg jAI jPO catalyst. It is apparent from Fig. 1 (A) that the CH conversion increases markedly (e.g. 6.7 times at 723 K) when H, is cofed with Oj. In the absence of H, the conversion of CH., docs not occur at <673 K, while the reaaion proceeds at 573 K in the presence of Hj. The apparent aaivation energies for CH conversion calculated from Fig. 1(A) are 147 10 and 220 10 kJ mol in the presence and absence of H respectively. These results strongly suggest that the cofeeding of H, with Oj generates a new active center for the conversion of CH over Fe jAl jPO catalyst. 

Revise the program to include nth-order reaction. Evaluate the conversion for first-order reaction from the dynamic model. Compare this with the conversion calculated from the E curve. Show by simulation that the two are equal only if the reaction is first order. 

Figure 6.4a shows the behavior of an endothermic reaction as a plot of equilibrium conversion against temperature. The plot can be obtained from values of AG° over a range of temperatures and the equilibrium conversion calculated as illustrated in Examples 6.1 and 6.2. If it is assumed that the reactor is operated adiabatically, a heat balance can be carried out to show the change in temperature with reaction conversion. If the mean molar heat capacity of the reactants and products are assumed constant, then for a given starting temperature for the reaction Ttn, the temperature of the reaction mixture will be proportional to the reactor conversion X for adiabatic operation, Figure 6.4a. As the conversion increases, the temperature decreases because of the reaction endotherm. If the reaction could proceed as far as equilibrium, then it would reach the equilibrium temperature TE. Figure 6.4b shows how equilibrium conversion can be increased by dividing the reaction into stages and reheating the reactants...

Fig. 25 RON of the product mixture as a function of MCH conversion, calculated by the method of ref. 14. Standard errors for this method are 1R0N. For the product distribution obtained on the three Pt/HY + Ir/Si02 catalyst bed configurations illustrated in Fig. 24. Conversion was varied by changing temperature. Total pressure = 2 MPa H2/feed molar ratio = 40. Adapted from ref. 100.

Of precipitated polymer, determined by GPC in DMAc using p(MMA) calibration H NMR spectra were recorded in CDCI3 Conversion calculated by H NMR spectroscopy... 

From the second law of thermodynamics equilibrium constants, hence equilibrium compositions of reacting systems, may be calculated. We must remember, however, that real systems do not necessarily achieve this conversion therefore, the conversions calculated from thermodynamics are only suggested attainable values. 

In the limiting cases (6) and (7), simple first order kinetics is expected. In the intermediate case (5), the kinetics is complex as seen in Fig. 4. At low contact time and conversion, r2 is negligible and the slope of the conversion curve represents k- at high conversion, the slope reflects k2. In this regime it is not admissible to do a single experiment and from the observed conversion calculate a rate constant by assuming first order kinetics. Apparent "rate constants osculated in this way yield variable values that depend on the arbitrarily chosen conversion (slope of dashed lines, Fig. 4). 

Two types of catalysts, Rh/SiO and Rh-CeO /SiO, were used. The reactivity tests (185°C, 1 atm.) showed that the presence of cerium affected the activity and also the selectivity of Rh/SiO catalysts. The total conversion (calculated as mole per cent of CO converted) after 8 hours on stream was 3.8% on Rh/SiO and 1.9% on the cerium containing catalyst. What is most striking is that the selectivity to oxygenates shifted from 6 to 71% by the addition of cerium. On Rh/SiO, acetaldehyde was obtained as the major oxygenated product whereas on Rh-CeO /SiO catalysts ethanol was the most abundant product. 

The kinetics of intercalation have been followed by FTIR and QCM gravimetry. For example, the frequency change of a QCM with a 20-layer CdAr film (exposed to H2S) was followed as a function of immersion time in a CdCl2 solution (Fig. 3.5.5) (46). The percent conversion [calculated from mass of film on QCM and stoichiometry in Eq. (3) reaches 100% within about 100 min immersion. In contrast, time-resolved FTIR spectra of CdBe/H2S and HgBe/H2S films immersed into Cd2+ and Hg2+ solutions, respectively, indicated that the intercalation of metal ions into the LB film of BeH takes 24-48 h to complete (21). The kinetics of the sulfidation reaction [Eq. (4) are discussed in a later section. 

The crude mixture was monitored by chiral stationary phase (CSP) HPLC (eluent hexane/isopropanol 95/5, 0.5mLmin, Chiralcel OD-H). After 2 h, (i/f,25)-l-phenyl-3,4-dihydronaphthalene oxide (80% ee) was obtained as the major enantiomer (fR=13.9 min) with 100% conversion (calculated using the internal standard) the minor 1S,2R) enantiomer eluting first (rR=10.1 min). 

Conversion calculated with naphthalene as an internal standard unless otherwise stated. 

Conversion calculated with dodecane as an internal standard. 

Cyclization to five-membered rings forms the alkylindans and indenes cyclization to six-membered rings gives tetralins and naphthalenes. Tetralins and decalins, however, were not observed in any of the experiments, because of unfavorable equilibrium. For example, less than 0.02-0.1% tetralin and less than 0.001% decalins would be expected if they were in equilibrium with the naphthalene formed in the n-butylbenzene experiments. [Equilibrium conversions calculated from the data of Egan (15), Allam and Vlugter (16), and Frye and Weitkamp (17)]... 

Solid samples at various stages of conversion were analyzed by Mossbauer spectroscopy. The only product identified in this case was Fe304 Hence, conversions can be calculated based on the weight change data. A comparison of conversions calculated based on the weight change data and those calculated based on the Mossbauer results is shown in Table IV. These results... 

Fig. 8.1 CO concentration in the effluent from Rh/Ti02 determined by CO-combustible gas sensor. CO conversion calculated from output of the sensor was compared with that obtained by FID-GC (filled circles) (reproduced by permission of Elsevier from [19]).

The population coefficients of moderately mobile, as distinct from highly mobile, Black Sea fish decrease to 1.4, and low mobile to 1, i.e. to the approximate values known for standard metabolism. These facts lend emphasis to the importance of conducting experiments in order to substantiate the conversion calculations. It is incorrect to extrapolate experimental data to total metabolism in fish without making direct observations on their motor activity in the natural state (Paloheimo and Dickie, 1966 Beamish, 1968 Brett, 1970 Healy, 1972 Elliott, 1976 Tytler, 1978 Kerr, 1982 Diana,... 

Changes of 2H and 13C isotopic composition were determined for recovered at high conversion cyclohexanone and for caprolactone isolated at low conversion. Calculated isotope effects are summarized in Figure 1. 

For a given product purity of x D = 0.70, Mujtaba and Macchietto (1997) solved the maximum profit problem for a number of cost parameters using the method described above. The results are presented in Table 9.3. For each case, Table 9.3 also shows the optimal batch time, amount of product, reflux ratio, total reboiler duty and maximum conversion (calculated using the polynomial equations). 

Fractional Conversion Calculate the fractional conversion, X, by the equation... 

Xf — molar conversion calculated from the molar flow rates of the reactant at the reactor inlet iVj and outlet JVi ... 

Percentage conversion calculated as mmol of aldehyde/mmol of olefin present initially mass balance 97-99% (exception styrene, 93%). Loss of olefin occurred during charging and depressurization of the autoclave. 

Reaction calorimetry has been widely explored in studies of the kinetics of heterophase polymerization in recent years [63,82-84,147,184-191]. There are several advantages of using a reaction calorimeter (1) the rate of polymerization is obtained directly, using the monomer conversion calculated from the... 

The 20% conversion calculated using the Kunii-Levenspiel model compares quite well with the experimental value of 22% measured by Massimilla and Johnstone. 

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