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

Line 106: | Line 106: | ||

</math> | </math> | ||

− | + | Joback Method Contributions (C1 Prausnitz) | |

[TABLA] | [TABLA] | ||

Line 124: | Line 124: | ||

<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> | ||

+ | |||

+ | a=0.16 | ||

+ | n=0.2 | ||

+ | |||

+ | Contribución de Sastri (Tabla 10.5. Prausnitz 5a) | ||

+ | |||

+ | [TABLA] | ||

+ | |||

+ | |||

+ | ---- | ||

+ | |||

+ | |||

+ | Silver density | ||

+ | |||

+ | {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}>> K_{1}and K_{2} - One enzyme per reactor/VLP
- Tortuosity approaches zero during diffusion

Mass balance was presented as such:

**INFLOW= OUTFLOW- DISAPPEARANCE BY REACTION + ACCUMULATION**

where

Inflow= F_{0}

Outflow= F_{0}(1-X_{S})

Disappearance = V(-r_{S}

Accumulation =

F_{0} = F_{0}(1-X_{S}) - V(-r_{S}) +

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

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 N_{Ar} represents molar flux. For N_{Br} we obtain:

At a constant temperature the product (cD_{AB}) is equally constant and x_{A}=1-x_{B}, 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
- D
_{AB}°=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 *N _{k}* 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
λ_{L} = thermic conductivity of the liquid [ W/(m·K)]
λ_{b} = thermic conductivity at normal boiling point
*T _{br}*=

*T/T*= reduced temperature

_{c}*T*= critical temperature, K

_{c}

a=0.16 n=0.2

Contribución de Sastri (Tabla 10.5. Prausnitz 5a)

[TABLA]

Silver density

{pendiente}