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3.3.1 Model Procedure Data collected from the extraction of butanol from water, for different weight percent, pressure and scCO2 flow rate, was fitted using the Tai and Wu model for ethanol extraction (Tai & Wu, 2005). The model was adjusted to model butanol extraction by changing the equilibrium constant (m) to 2.2 for butanol (Laitinen & Kaunisto, 1999b). Adjusting the constant values of the model to match the reactor system allowed accurate modeling of the reactor. Data collected from literature shows that the concentration of butanol inside the reactor decreases over time, but the shape of the curve depends on the parameters that will be varied: Pressure, scCO2 flow rate and initial concentration (Tai & Wu, 2005). Taking the natural log of the concentration of butanol left in the reactor divided by the initial concentration of butanol in the reactor, will result in a straight curve with a negative slope. The slope of this curve is known as alpha one (α1). By plugging α1 and the operating conditions into equation 2.15, The Kla value can be calculated. By using this Kla value, q1 and q2 can be found using equations 2.7-2.9 respectively. Plugging these values into equations 2.11 and 2.12, α1 and α2 are solved for. β1 and β2 are then solved for using equations 2.13 and 2.14 respectively. Finally, using equation 2.10, the concentration (Cl) at any time (t) can be calculated. 3.4 Theoretical Model In order to validate the Kla value obtained from our experimental model, theoretical models based on extraction correlations were pursued to determine if a similar value could be calculated. Our extraction process was investigated and then assumptions were made to base correlations to begin the creation of the theoretical model. Following this, the value for Kla was calculated by separately calculating the local mass transfer coefficient (Kl) and the interfacial area (a). Overall, the calculation was based on the initial assumptions and the scenario being modeled as it could be interpreted in various ways. When looking at the scenario for butanol extraction, the key elements considered were the extraction environment and the extraction components. The environment of the butanol extraction system could have been simply analyzed as a liquid-gas extraction system that used carbon dioxide gas to extract butanol from liquid water, but the conditions of the reactor vessel cause the carbon dioxide to behave more like a liquid at its 34PDF Image | Extraction of Bio-Butanol using Supercritical Carbon Dioxide
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