CH3008D

CHEMICAL REACTION ENGINEERING II

One-Parameter Models
Dispersion Model
 Dispersion Model
• The dispersion model is also often used to describe nonideal tubular reactors.
• In this model, there is an axial dispersion of the material, which is governed by an analogy to
Fick’s law of diffusion, superimposed on the flow.
• So in addition to transport by bulk flow, 𝑈𝐴𝑐 𝐶, every component in the mixture is transported
through any cross section of the reactor at a rate equal to – 𝐷𝐴𝑐 (𝑑𝐶/𝑑𝑧) resulting from
molecular and convective diffusion.
• By convective diffusion (i.e., dispersion), we mean either Aris-Taylor dispersion in laminar-flow
reactors or turbulent diffusion resulting from turbulent eddies.
• Some molecules will diffuse forward ahead of the molar average velocity, while others will lag
behind.

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 Dispersion Model
• The molar flow rate of tracer (𝐹𝑇 ) by both convection and dispersion is
𝜕𝐶𝑇
𝐹𝑇 = – 𝐷 + 𝑈𝐶𝑇 𝐴𝑐
𝜕𝑧
• 𝐷 is the effective dispersion coefficient (m2/s) and 𝑈 (m/s) is the superficial velocity.
• An unsteady state mole balance on the inert tracer T gives
𝜕𝐹𝑇 𝜕𝐶𝑇
− = 𝐴𝑐
𝜕𝑧 𝜕𝑡
• Substituting for 𝐹𝑇 and dividing by the cross-sectional area 𝐴𝑐 , we have
𝜕 2 𝐶𝑇 𝜕 𝑈𝐶𝑇 𝜕𝐶𝑇
𝐷 2
− =
𝜕𝑧 𝜕𝑧 𝜕𝑡
• Once we know the boundary conditions, the solution to the above equation will give the
outlet tracer concentration–time curves.

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 Flow, Reaction, and Dispersion
• For a tubular reactor, mole balance on A is given by
1 𝑑𝐹𝐴
− + 𝑟𝐴 = 0
𝐴𝑐 𝑑𝑧
• The molar flow rate of A (𝐹𝐴 ) by both convection and dispersion is
𝑑𝐶𝐴
𝐹𝐴 = – 𝐷 + 𝑈𝐶𝐴 𝐴𝑐
𝑑𝑧
• Substituting for 𝐹𝐴 , we have
𝑑 2 𝐶𝐴 𝑑 𝑈𝐶𝐴
𝐷 − + 𝑟𝐴 = 0
𝑑𝑧 𝑑𝑧
𝐷 𝑑 2 𝐶𝐴 𝑑𝐶𝐴 𝑟𝐴
2
− + =0
𝑈 𝑑𝑧 𝑑𝑧 𝑈
• This equation is a second-order ordinary differential equation. It is nonlinear when 𝑟𝐴 is other
than zero or first order.
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 Flow, Reaction, and Dispersion
• When the reaction rate 𝑟𝐴 is first order, 𝑟𝐴 = −𝑘𝐶𝐴 ,
𝐷 𝑑 2 𝐶𝐴 𝑑𝐶𝐴 𝑘𝐶𝐴
− − =0
𝑈 𝑑𝑧 2 𝑑𝑧 𝑈
• Describing dispersion and reaction in dimensionless form by letting 𝜓 = 𝐶𝐴 /𝐶𝐴0 and 𝜆 = 𝑧 /𝐿
1 𝑑2 𝜓 𝑑𝜓
2
− − 𝐷𝑎1 𝜓 = 0
𝑃𝑒𝑟 𝑑𝜆 𝑑𝜆
• The quantity 𝑃𝑒𝑟 is the Peclet number and 𝐷𝑎1 is called the Damköhler number for a first-
order conversion.
• They physically represents the ratio

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 Flow, Reaction, and Dispersion
• The reactor Peclet number, 𝑃𝑒𝑟 , for mass dispersion is often referred to as the Bodenstein
number, 𝐵𝑜, in reacting systems rather than the Peclet number.
• The other type of Peclet number can be called the fluid Peclet number, 𝑃𝑒𝑓 ; it uses the
characteristic length that determines the fluid’s mechanical behavior.
• In a packed bed this length is the particle diameter 𝑑𝑝 , and 𝑃𝑒𝑓 = 𝑈𝑑𝑝 /𝜙𝐷. (The term U is
the empty tube or superficial velocity. For packed beds we often wish to use the average
interstitial velocity, and thus 𝑈/𝜙 is commonly used for the packed-bed velocity term.)
• In an empty tube, the fluid behavior is determined by the tube diameter 𝑑𝑡 , and 𝑃𝑒𝑓 =
𝑈𝑑𝑡 /𝐷.
• To convert 𝑃𝑒𝑓 to 𝑃𝑒𝑟 : Multiply by the ratio L/dp or L/dt.
• The reciprocal of 𝑃𝑒𝑟 , D/UL, is sometimes called the vessel dispersion number.

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Vessel Dispersion Number

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Dispersion Model for Small Extents of Dispersion, (D/uL) < 0.01

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Dispersion Model for Small Extents of Dispersion, (D/uL) < 0.01

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 Boundary Conditions (Significant for Large Extents of Dispersion)

• Boundary Conditions
– There are two cases that we need to consider: boundary conditions for closed vessels and for open vessels.
– In the case of closed-closed vessels, we assume that there is no dispersion or radial variation in
concentration either upstream (closed) or downstream (closed) of the reaction section; hence, this is a
closed-closed vessel.
– In an open vessel, dispersion occurs both upstream (open) and downstream (open) of the reaction section;
hence, this is an open-open vessel.
– The fluctuations in concentration due to dispersion are superimposed on the plug-flow velocity profile.
– A closed-open vessel boundary condition is one in which there is no dispersion in the entrance section but
there is dispersion in the reaction and
exit sections.

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Open Vessel – Dispersion Model for Large Deviation from Plug Flow, (D/uL) > 0.01

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Open Vessel – Dispersion Model for Large Deviation from Plug Flow, (D/uL) > 0.01

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Closed Vessel – Dispersion Model for Large Deviation from Plug Flow, (D/uL) > 0.01

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 Conversion using Dispersion Model for Large Deviation from Plug Flow,
(D/uL) > 0.01
• Closed-closed vessel

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