Difference between revisions of "Biomod/2013/NanoUANL/Reactor"

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Tabla .- Joback Method Contributions (C1 Prausnitz)
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Joback Method Contributions (C1 Prausnitz)
  
 
[TABLA]
 
[TABLA]
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<math>m=1-\bigg(\frac{1-T_r}{1-T_{br}}\bigg)^n</math>
 
<math>m=1-\bigg(\frac{1-T_r}{1-T_{br}}\bigg)^n</math>
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a=0.16
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n=0.2
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Contribución de Sastri (Tabla 10.5. Prausnitz 5a)                       
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[TABLA]
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----
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Silver density
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{pendiente}

Revision as of 23:48, 11 October 2013

What is a reactor?

Introduction

The CCMV capsid was considered as a continuous stirred-tank reactor with accumulation of the product.

For an enzymatic reaction of the type:

with a reaction rate of:

We established the following in our system:

  • Uniform distribution throughout the reactor
  • K-1 >> K1 and K2
  • One enzyme per reactor/VLP
  • Tortuosity approaches zero during diffusion

Mass balance was presented as such:

INFLOW= OUTFLOW- DISAPPEARANCE BY REACTION + ACCUMULATION

where

Inflow= F0

Outflow= F0(1-XS)

Disappearance = V(-rS

Accumulation =

F0 = F0(1-XS) - V(-rS) +

The intake and outflow flux were determined by diffusion , considering a spherical container.

File:CCMV2.jpg

For the simplification of the diffusion phenomenon we considered:

  • Constant temperature
  • Constant pressure
  • Species B stays in a stationary state (it does not diffuse in A)
  • The container (VLP) has a spherical shape

A mass balance, taking into account a spherical envelope leads to:

where NAr represents molar flux. For NBr we obtain:

At a constant temperature the product (cDAB) is equally constant and xA=1-xB, the equation can be integrated into the following expression:

where x are the fractions, c is the concentration and r are the respective radii.

This equation defines the nanoreactor inflow; a similar analysis yields the reactor outflow.


The ionic silver diffusion coefficient in function to the solution is described by Nerst's equation (1888)1:

Failed to parse (syntax error): {\displaystyle D_{AB}°= \frac{RT}{F^2} \frac{\lambda^o_+\lambda^o_-}{\lambda^o_++\lambda^o_-} \frac{|Z_-|+|Z_+|}{|Z_+Z_-|} }

where

  • F = Faraday's constant
  • DAB°=Diffusion coefficient at infinite dilution
  • λ+°=Cationic conductivity at infinite dilution
  • λ-°=Anionic conductivity at infinite dilution
  • Z+=Cation valence
  • Z-=Anionic valence
  • T=Absolute temperature

Via Joback's method, we obtain the normal boiling temperature:

in which Nk is the number of times that the contribution occurs in the compound.


Using a similar approach, also by Joback, we estimated the critical temperature:

Joback Method Contributions (C1 Prausnitz)

[TABLA]


Conductivity was determined by the Sastri method:

where λL = thermic conductivity of the liquid [ W/(m·K)] λb = thermic conductivity at normal boiling point Tbr= T/Tc = reduced temperature Tc = critical temperature, K


a=0.16 n=0.2

Contribución de Sastri (Tabla 10.5. Prausnitz 5a)

[TABLA]




Silver density

{pendiente}