Mass balance with reaction -- Chemical kinetics POV

In summary, the chemical reaction engineering approach uses a different r (net chemical generation) than the chemical kinetics approach.
  • #1
MexChemE
237
55
Good evening, people of PF. Recently, while studying chemical kinetics, I have come across some questions about reaction rates and rate equations. I've noticed some inconsistencies between the chemical kinetics point of view, and the approach taken by chemical reaction engineering and reactor design authors. Consider the following reaction.
aA + bB → cC + dD
According to chemical kinetics, the reaction rate is given by
[tex]r = -\frac{1}{a} \frac{\textrm{d} C_{\textrm{A}}}{\textrm{d} t} = -\frac{1}{b} \frac{\textrm{d} C_{\textrm{B}}}{\textrm{d} t} = \frac{1}{c} \frac{\textrm{d} C_{\textrm{C}}}{\textrm{d} t} = \frac{1}{d} \frac{\textrm{d} C_{\textrm{D}}}{\textrm{d} t}[/tex]
And the rate equation is (usually) given by
[tex]r = k C_{\textrm{A}}^a C_{\textrm{B}}^b[/tex]
So, for instance, if we want to know the rate at which D is produced we write
[tex]\frac{\textrm{d} C_{\textrm{D}}}{\textrm{d} t} = d k C_{\textrm{A}}^a C_{\textrm{B}}^b[/tex]
and we solve the differential equation.
Now, we assume the same reaction occurs inside an ideal batch reactor, and again we want to know the rate at which D is produced. We perform a mole balance for the species D.
[tex]\frac{\textrm{d} n_{\textrm{D}}}{\textrm{d} t} = rV[/tex]
Where V is the volume of the reactor, and r is the net chemical generation. If we apply nD = V⋅CD, we have
[tex]V \frac{\textrm{d} C_{\textrm{D}}}{\textrm{d} t} = rV[/tex]
[tex]\frac{\textrm{d} C_{\textrm{D}}}{\textrm{d} t} = r[/tex]
Finally, we have
[tex]\frac{\textrm{d} C_{\textrm{D}}}{\textrm{d} t} = k C_{\textrm{A}}^a C_{\textrm{B}}^b[/tex]
Although similar, this is not the same result one arrives at when studying chemical kinetics. Maybe it is a ridiculous concern, or I am missing something obvious, but it has been bugging me since I noticed it. Is the r (net chemical generation) used when studying chemical reactor engineering not the same as the r (reaction rate) used when studying chemical kinetics?
Thanks in advance for any input!
 
Engineering news on Phys.org
  • #2
It seems to me, in the second case you're just considering species D and your r and k would apply just to CD. To then consider r and k for the overall reaction, you'd have to divide your species-specific r and k by d.
 
  • Like
Likes MexChemE
  • #3
This step doesn't look right to me:
MexChemE said:
Now, we assume the same reaction occurs inside an ideal batch reactor, and again we want to know the rate at which D is produced. We perform a mole balance for the species D.
[tex]\frac{\textrm{d} n_{\textrm{D}}}{\textrm{d} t} = rV[/tex]

If each reaction produces ##d## molecules of species D shouldn't it be this, instead?
[tex]\frac{\textrm{d} n_{\textrm{D}}}{\textrm{d} t} = drV[/tex]

If so, it looks like both approaches agree.
 
  • Like
Likes MexChemE
  • #4
rikblok said:
If each reaction produces ##d## molecules of species D shouldn't it be this, instead?
[tex]\frac{\textrm{d} n_{\textrm{D}}}{\textrm{d} t} = drV[/tex]

If so, it looks like both approaches agree.
Well, I've never seen reaction engineering literature using stoichiometric coefficients on mole balances before, but it doesn't seem like we're breaking any rules here. And it does agree with the result from chemical kinetics. I do prefer using reaction engineering methods though, as a chemical engineering student, I'm more inclined to think and reason in terms of mass and energy balances.
 
  • #5
insightful said:
It seems to me, in the second case you're just considering species D and your r and k would apply just to CD. To then consider r and k for the overall reaction, you'd have to divide your species-specific r and k by d.
While reading deeper into Fogler's Elements of Chemical Reaction Engineering I noticed they do use [itex]r_{\textrm{D}}[/itex] in the mole balance for species D, and [itex]r_{\textrm{D}} = dr[/itex], which agrees with both your post and rikblok's.

Thank you both for your input!
 

What is mass balance with reaction?

Mass balance with reaction refers to the process of tracking the amount of reactants and products in a chemical reaction. It involves using stoichiometry to calculate the amount of each substance present at any given time during the reaction.

Why is mass balance with reaction important?

Mass balance with reaction is important because it allows us to understand and predict the progress of a chemical reaction. It also helps us to optimize reaction conditions and determine the efficiency of a reaction.

How do you perform mass balance with reaction?

To perform mass balance with reaction, you need to first write out the balanced chemical equation for the reaction. Then, use stoichiometry to calculate the amount of each substance present at different times during the reaction. Finally, check that the total mass of reactants equals the total mass of products at all times.

What is the role of chemical kinetics in mass balance with reaction?

Chemical kinetics plays a crucial role in mass balance with reaction as it helps us to understand the rate at which reactants are consumed and products are formed. This information is necessary for accurately tracking the amount of each substance present at different times during the reaction.

What are some potential sources of error in mass balance with reaction?

Potential sources of error in mass balance with reaction include experimental errors in measuring the mass of substances, incomplete reactions, and side reactions. Other factors such as temperature, pressure, and concentration can also affect the accuracy of mass balance calculations.

Similar threads

  • Materials and Chemical Engineering
Replies
9
Views
9K
  • Materials and Chemical Engineering
Replies
3
Views
3K
  • Materials and Chemical Engineering
Replies
4
Views
3K
  • Biology and Chemistry Homework Help
Replies
2
Views
9K
  • Materials and Chemical Engineering
Replies
1
Views
2K
Replies
6
Views
919
  • Materials and Chemical Engineering
Replies
2
Views
3K
Replies
1
Views
1K
  • Engineering and Comp Sci Homework Help
Replies
6
Views
3K
  • Materials and Chemical Engineering
Replies
1
Views
2K
Back
Top