Mass balance with reaction -- Chemical kinetics POV

Click For Summary
SUMMARY

This discussion focuses on the discrepancies between chemical kinetics and chemical reaction engineering regarding reaction rates and rate equations. The reaction under consideration is aA + bB → cC + dD, with the reaction rate expressed as r = k CAa CBb. The participants clarify that the net chemical generation rate (r) in reactor engineering can differ from the reaction rate (r) in kinetics, particularly when considering stoichiometric coefficients. The consensus is that using rD = dr aligns both approaches, confirming that both methodologies can yield consistent results when properly applied.

PREREQUISITES
  • Understanding of chemical kinetics and reaction rates
  • Familiarity with mole balances in chemical engineering
  • Knowledge of stoichiometric coefficients in chemical reactions
  • Experience with ideal batch reactor concepts
NEXT STEPS
  • Study the application of mole balances in chemical reaction engineering
  • Learn about the differences between reaction rates in kinetics and reactor design
  • Explore Fogler's Elements of Chemical Reaction Engineering for deeper insights
  • Investigate the implications of stoichiometric coefficients on reaction rates
USEFUL FOR

Chemical engineering students, researchers in chemical kinetics, and professionals involved in reactor design and optimization will benefit from this discussion.

MexChemE
Messages
237
Reaction score
54
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
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}
And the rate equation is (usually) given by
r = k C_{\textrm{A}}^a C_{\textrm{B}}^b
So, for instance, if we want to know the rate at which D is produced we write
\frac{\textrm{d} C_{\textrm{D}}}{\textrm{d} t} = d k C_{\textrm{A}}^a C_{\textrm{B}}^b
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.
\frac{\textrm{d} n_{\textrm{D}}}{\textrm{d} t} = rV
Where V is the volume of the reactor, and r is the net chemical generation. If we apply nD = V⋅CD, we have
V \frac{\textrm{d} C_{\textrm{D}}}{\textrm{d} t} = rV
\frac{\textrm{d} C_{\textrm{D}}}{\textrm{d} t} = r
Finally, we have
\frac{\textrm{d} C_{\textrm{D}}}{\textrm{d} t} = k C_{\textrm{A}}^a C_{\textrm{B}}^b
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
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   Reactions: MexChemE
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.
\frac{\textrm{d} n_{\textrm{D}}}{\textrm{d} t} = rV

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

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

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.
 
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 r_{\textrm{D}} in the mole balance for species D, and r_{\textrm{D}} = dr, which agrees with both your post and rikblok's.

Thank you both for your input!
 

Similar threads

  • · Replies 9 ·
Replies
9
Views
11K
  • · Replies 3 ·
Replies
3
Views
4K
  • · Replies 2 ·
Replies
2
Views
10K
  • · Replies 2 ·
Replies
2
Views
3K
  • · Replies 12 ·
Replies
12
Views
3K
  • · Replies 6 ·
Replies
6
Views
3K
Replies
4
Views
3K
  • · Replies 1 ·
Replies
1
Views
2K
  • · Replies 1 ·
Replies
1
Views
2K
Replies
1
Views
3K