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Continuous stirred-tank reactor

The continuous stirred-tank reactor (CSTR), also known as vat- or backmix reactor, mixed flow reactor (MFR), or a continuous-flow stirred-tank reactor (CFSTR), is a common model for a chemical reactor in chemical engineering and environmental engineering. A CSTR often refers to a model used to estimate the key unit operation variables when using a continuous agitated-tank reactor to reach a specified output. The mathematical model works for all fluids: liquids, gases, and slurries.

Ideal CSTR
Modeling A continuous fluid flow containing non-conservative chemical reactant A enters an ideal CSTR of volume V. Assumptions • perfect or ideal mixing • steady state \Bigl(\frac{dN_A}{dt} = 0\Bigr), where NA is the number of moles of species A • closed boundaries • constant fluid density (valid for most liquids; valid for gases only if there is no net change in the number of moles or drastic temperature change) • nth-order reaction (r = kCAn), where k is the reaction rate constant, CA is the concentration of species A, and n is the order of the reaction • isothermal conditions, or constant temperature (k is constant) • single, irreversible reaction (νA = −1) • All reactant A is converted to products via chemical reaction • NA = CA V Governing equations Integral mass balance on number of moles NA of species A in a reactor of volume V: 1. [\text{Net accumulation of} ~A] = [A~\text{in}] - [A~\text{out}] + [\text{Net generation of} ~A] 2. \frac{dN_A}{dt} = F_{Ao} - F_A + V \nu_A r_A where • FAo is the molar flow rate inlet of species AFA is the molar flow rate outlet of species AvA is the stoichiometric coefficientrA is the reaction rate Applying the assumptions of steady state and νA = −1, Equation 2 simplifies to: 3. 0 = F_{Ao} - F_A - V r_A The molar flow rates of species A can then be rewritten in terms of the concentration of A and the fluid flow rate (Q): 4. 0 = QC_{Ao} - QC_A - V r_A Equation 4 can then be rearranged to isolate rA and simplified: 5. r_A = \frac{Q}{V} (C_{Ao} - C_A) The rate constant can be determined using a known empirical reaction rate that is adjusted for temperature using the Arrhenius temperature dependence. Not all fluid particles will spend the same amount of time within the reactor. The exit age distribution (E(t)) defines the probability that a given fluid particle will spend time t in the reactor. Similarly, the cumulative age distribution (F(t)) gives the probability that a given fluid particle has an exit age less than time t. Depending on the application of the reactor, this may either be an asset or a drawback. == Non-ideal CSTR ==
Non-ideal CSTR
While the ideal CSTR model is useful for predicting the fate of constituents during a chemical or biological process, CSTRs rarely exhibit ideal behavior in reality. For engineering purposes, however, if the residence time is 5–10 times the mixing time, the perfect mixing assumption generally holds true. Non-ideal hydraulic behavior is commonly classified by either dead space or short-circuiting. These phenomena occur when some fluid spends less time in the reactor than the theoretical residence time, \tau. The presence of corners or baffles in a reactor often results in some dead space where the fluid is poorly mixed. To model systems that do not obey the assumptions of constant temperature and a single reaction, additional dependent variables must be considered. If the system is considered to be in unsteady-state, a differential equation or a system of coupled differential equations must be solved. Deviations of the CSTR behavior can be considered by the dispersion model. CSTRs are known to be one of the systems which exhibit complex behavior such as steady-state multiplicity, limit cycles, and chaos. ==Cascades of CSTRs==
Cascades of CSTRs
Cascades of CSTRs, also known as a series of CSTRs, are used to decrease the volume of a system. Minimizing volume As seen in the graph with one CSTR, where the inverse rate is plotted as a function of fractional conversion, the area in the box is equal to \frac{V}{F_{Ao}} where V is the total reactor volume and F_{Ao} is the molar flow rate of the feed. When the same process is applied to a cascade of CSTRs as seen in the graph with three CSTRs, the volume of each reactor is calculated from each inlet and outlet fractional conversion, therefore resulting in a decrease in total reactor volume. Optimum size is achieved when the area above the rectangles from the CSTRs in series that was previously covered by a single CSTR is maximized. For a first order reaction with two CSTRs, equal volumes should be used. As the number of ideal CSTRs (n) approaches infinity, the total reactor volume approaches that of an ideal PFR for the same reaction and fractional conversion. Ideal cascade of CSTRs From the design equation of a single CSTR where \tau = \frac{C_{Ao} - C_A}{-r_A} , we can determine that for a single CSTR in series that \tau_i = \frac{C_{A(i-1)}-C_{Ai}}{-r_{Ai}} , where \tau is the space time of the reactor, C_{Ao} is the feed concentration of A, C_{A} is the outlet concentration of A, and -r_{A} is the rate of reaction of A. First order For an isothermal first order, constant density reaction in a cascade of identical CSTRs operating at steady state For one CSTR: C_{A1} = \frac{C_{Ao}}{1 + k\tau} , where k is the rate constant and C_{A1} is the outlet concentration of A from the first CSTR Two CSTRs: C_{A1} = \frac{C_{Ao}}{1 + k\tau} and C_{A2} = \frac{C_{A1}}{1 + k\tau} Plugging in the first CSTR equation to the second: C_{A2} = \frac{C_{Ao}}{(1 + k\tau)^2} Therefore, for m identical CSTRs in series: C_{Am} = \frac{C_{Ao}}{(1 + k\tau)^m} When the volumes of the individual CSTRs in series vary, the order of the CSTRs does not change the overall conversion for a first order reaction as long as the CSTRs are run at the same temperature. Zeroth order At steady state, the general equation for an isothermal zeroth order reaction at in a cascade of CSTRs is given by C_{Am} = C_{Ao} - \sum_{i=1}^{m} k_i\tau_i When the cascade of CSTRs is isothermal with identical reactors, the concentration is given by C_{Am} = C_{Ao} - mk_i\tau_i Second order For an isothermal second order reaction at steady state in a cascade of CSTRs, the general design equation is C_{Ai} = \frac{-1 + \sqrt{1 + 4k_i\tau_iC_{A(i-1)}}}{2k_i\tau_i} Non-ideal cascade of CSTRs With non-ideal reactors, residence time distributions can be calculated. At the concentration at the jth reactor in series is given by \frac{C_j}{C_o} = 1 -e^{-\frac{nt}{\bar{t}}}[1 + \frac{nt}{\bar{t}} + \frac{1}{2!}(\frac{nt}{\bar{t}})^2 + ... + \frac{1}{(j-1)!}(\frac{nt}{\bar{t}})^{j-1}] where n is the total number of CSTRs in series, and \bar{t} is the average residence time of the cascade given by \bar{t} = \frac{V}{Q} where Q is the volumetric flow rate. From this, the cumulative residence time distribution (F(t)) can be calculated as F(t) = \frac{C_n}{C_o} = 1 -e^{-\frac{nt}{\bar{t}}}[1 + \frac{nt}{\bar{t}} + \frac{1}{2!}(\frac{nt}{\bar{t}})^2 + ... + \frac{1}{(n-1)!}(\frac{nt}{\bar{t}})^{n-1}] As n → ∞, F(t) approaches the ideal PFR response. The variance associated with F(t) for a pulse stimulus into a cascade of CSTRs is \sigma_{t}^2 = \frac{\bar{t}^2}{n} . Cost When determining the cost of a series of CSTRs, capital and operating costs must be taken into account. As seen above, an increase in the number of CSTRs in series will decrease the total reactor volume. Since cost scales with volume, capital costs are lowered by increasing the number of CSTRs. The largest decrease in cost, and therefore volume, occurs between a single CSTR and having two CSTRs in series. When considering operating cost, operating cost scales with the number of pumps and controls, construction, installation, and maintenance that accompany larger cascades. Therefore, as the number of CSTRs increases, the operating cost increases. Therefore, there is a minimum cost associated with a cascade of CSTRs. Zeroth order reactions From a rearrangement of the equation given for identical isothermal CSTRs running a zeroth order reaction: \tau = \frac{C_{Ao} - C_{Am}}{mk} , the volume of each individual CSTR will scale by \frac{1}{m}. Therefore, the total reactor volume is independent of the number of CSTRs for a zeroth order reaction. Therefore, cost is not a function of the number of reactors for a zeroth order reaction and does not decrease as the number of CSTRs increases. Selectivity of parallel reactions When considering parallel reactions, utilizing a cascade of CSTRs can achieve greater selectivity for a desired product. For a given parallel reaction A -> B and A -> C with constants k_1 and k_2 and rate equations \frac{d[\ce B]}{dt}=k_1[\ce A]^{n_1} and \frac{d[\ce C]}{dt}=k_2[\ce A]^{n_2}, respectively, we can obtain a relationship between the two by dividing \frac{d[\ce B]}{dt} by \frac{d[\ce C]}{dt}. Therefore \frac{d[\ce B]}{d[\ce C]} = \frac{k_1}{k_2}[\ce A]^{n_1 - n_2} . In the case where n_1 > n_2 and B is the desired product, the cascade of CSTRs is favored with a fresh secondary feed of A in order to maximize the concentration of A . For a parallel reaction with two or more reactants such as A + D -> B and A + D -> C with constants k_1 and k_2 and rate equations \frac{d[\ce B]}{dt}=k_1[\ce A]^{n_1}[\ce D]^{m_1} and \frac{d[\ce C]}{dt}=k_2[\ce A]^{n_2}[\ce D]^{m_12}, respectively, we can obtain a relationship between the two by dividing \frac{d[\ce B]}{dt} by \frac{d[\ce C]}{dt}. Therefore \frac{d[\ce B]}{d[\ce C]} = \frac{k_1}{k_2}[\ce A]^{n_1 - n_2}[\ce D]^{m_1 - m_2} . In the case where n_1 > n_2 and m_1 > m_2 and B is the desired product, a cascade of CSTRs with an inlet stream of high [A] and [D] is favored. In the case where n_1 > n_2 and m_1 and B is the desired product, a cascade of CSTRs with a high concentration of A in the feed and small secondary streams of D is favored. Series reactions such as A -> B -> C also have selectivity between B and C but CSTRs in general are typically not chosen when the desired product is B as the back mixing from the CSTR favors C . Typically a batch reactor or PFR is chosen for these reactions. == Applications ==
Applications
CSTRs facilitate rapid dilution of reagents through mixing. Therefore, for non-zero-order reactions, the low concentration of reagent in the reactor means a CSTR will be less efficient at removing the reagent compared to a PFR with the same residence time. • Treatment wetlands for wastewater and storm water runoff Chemical engineering • Loop reactor for production of pharmaceuticals • FermentationBiogas production == See also ==
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