What is a reactor?
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
Disappearance = V(-rS
F0 = F0(1-XS) - V(-rS) +
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 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:
- 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)
Conductivity was determined by the Sastri method:
λL = λbam
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
Contribución de Sastri (Tabla 10.5. Prausnitz 5a)