Assignment 2: Task 1

Task 1:
What are the limits (boundaries) in this problem?

aA + bB + cC + dD ↔ eE + fF

I would put a table as a means of explanation:

Column 1: stoichiometric coefficients, v (i.e. a, b, c, …)

Column 2: initial number of moles, e.g. n0 (i.e. na, nb, nc, …, 0, 0)
Δn – shows change in the number of moles.
n* – is the extent of reaction.
Column 3: final number of moles remaining, e.g. ni

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 Assignment 2: Task 1
Task 1:
What are the limits (boundaries) in this problem?

aA + bB + cC + dD ↔ eE + fF

Hence, we get something like this:

a na -an* na--an*
b nb -bn* nb--bn*
c nc -cn* nc--cn*
d nd -dn* …
e 0 en* …
f 0 fn* …

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 Assignment 2: Task 1
Task 1:
What are the limits (boundaries) in this problem?

aA + bB + cC + dD ↔ eE + fF

ni = na--an* + nb--bn* + nc--cn* + nd--dn*+ en* + fn*

(use the above in Column 4 of your table)
On rearrangement:
ni = na + nb + nc + nd – (a + b+ c + d – e –f )n*
vi = e + f – a – b – c – d

Remember that Henry is asking about the boundaries of this

reaction.

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 Assignment 2: Task 1
Task 1:
What are the limits (boundaries) in this problem?

aA + bB + cC + dD ↔ eE + fF

Assumptions:
na, nb, nc, nd, ne and nf are equal or greater than 0.
Since n* stands for the extent of this reaction, it cannot be
negative.
na-an* (Column 4 of our table) must be equal or greater than 0.
Now finish this off to complete the assumptions.

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 Assignment 2: Task 1
Task 1:
What are the limits (boundaries) in this problem?

aA + bB + cC + dD ↔ eE + fF

Therefore, to get a range for n*:

na-an* must be equal or greater than 0
na is equal or greater than -an*
na/a is equal or greater than n
Note that the above is a mathematical derivation.

Similarly:

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 Assignment 2: Task 1
Task 1:
What are the limits (boundaries) in this problem?

aA + bB + cC + dD ↔ eE + fF

Similarly:
n* is equal or greater than 0
Now do the working from Slide 5 for the remaining v’s (i.e. b, c, d) or
state what happens.

My answer for Task 1:

If I am asked what the boundaries (limits) for the given reaction are,
firstly, a limiting reactant is required (in this case, it is set as B).

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 Assignment 2: Task 1
Task 1:
What are the limits (boundaries) in this problem?

aA + bB + cC + dD ↔ eE + fF

My answer for Task 1:

If I am asked what the boundaries (limits) for the given reaction
are, firstly, a limiting reactant is required (in this case, it is set as
B), which gives me the boundaries (limits) as 0 and nb/b.

Make sure Task 1 is preceded by the supporting information

regarding Newton’s method and the objective(-s) of this
Assignment.

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 Assignment 2: Task 1 – Another Approach
Task 1 – Another Approach:
What are the limits (boundaries) in this problem?

The limits (boundaries) in this problem cannot be negative

because n* corresponds to the number of moles.
There are 2 possibilities:
- No reaction (Δni = 0);
- ‘Some’ reaction taking place (Δni greater than 0).

If Δni is equal to 0 (n0* is 0) because… and so on.

You can use this (more theoretical) approach, if you want.

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 Assignment 2: Task 2
Task 2:
How would you determine the sign of n0*?

aA + bB + cC + dD ↔ eE + fF

Whether n0* is positive/negative depends on reactants and products

of the reaction above.
1. For the reactants:
Assumption: stoichiometric coefficient, v, is negative for the reactants.
Δni is negative as there is a decrease in the number of moles (due to
reaction).
This means that n* is a positive value (?). The question mark here is for
you to tell me why n* is a positive value.
2. For the products:

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 Assignment 2: Task 2
Task 2:
How would you determine the sign of n0*?

aA + bB + cC + dD ↔ eE + fF

Whether n0* is positive/negative depends on reactants and

products of the reaction above.
2. For the products:
Assumption: stoichiometric coefficient, v, is positive for the
products.
Δni is positive as there is…
Finish this off accordingly.

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 Assignment 2: Task 3
Task 3:
Devise a code that stops the iteration after 100 iterations and
sends the following message to the screen: “Reached a
maximum number of iterations (100)”.

Do
i=i+1 ‘what is happening?
If i = 100 Then ‘write your explanations, like in Assignment 1.
MsgBox (“Reached a maximum number of iterations (100)”)
Exit Function ‘you should probably Exit Function, not end it.
End If
<<code in loop>>
Loop While (<<condition>>)

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