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211-215, 1991
0 1997 Ekvier Science Ltd
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A new scenario for the calculation of the adiabatic temperature increase for semi-batch pro-
cesses is presented. In the safety assessment of chemical reactions it is necessary to determine
the value of the Maximum Temperature attainable by runaway of the Synthesis Reaction for
the worst case. We demonstrate that the batch scenario is not always the most dangerous way
to carry out a reaction. In addition, an improvement in the calculation of the MTSR is presented
in order to obtain more realistic scenarios. 0 1997 Elsevier Science Ltd. All rights reserved
Keywords: MTSR; risk assessment; runaway scenario; semi-batch process; reaction calorimetry
211
212 Maximum attainable temperature: E. Serra et al.
A
‘I
the heat generated during the process. But, if the process ’I
/
is carried out in a semi-batch mode three different scen- ,
/
arios are considered depending on the dosing evolution /
after adiabaticity is attained: the batch scenario [3,4], if / / 4,
//
I
the addition of all reactants is instantaneous; the stop i/
, I
scenario [4] if the dosing is stopped immediately; and
I
the non stop scenario [2] if the dosing continues at its I
Batch scenario
order to determine the accumulated heat, which is the
If the addition of the remaining reactant is instantaneous
most important factor in this scenario, we chose to nor-
at the moment that adiabaticity is reached, the adiabatic
malize the reaction time to the time in which the stoi-
temperature increase depends on the heat of reaction that
chiometric amount of reactant has been added according
has to be generated from this time. It is calculated as a
to equation (4).
function of time by equation (1).
Table 1 Comparison between the values obtained applying the batch scenario and the non stop scenario
Case cpr.0 (J/kgK) cpr,f (J/kgK) m,,, (kg) &T(b) PC) A,,T(ns) PC) diff (%)
The maximum of this function is always at the start- runaway of Synthesis Reaction, MTSR, of the studied
ing point of the addition. It can be calculated by equ- process.
ation (7).
If&(W
0
- P - Tdos)I
[mdoscpdos(T
Al A2 A3 Bl 82 83 Cl C2 C3
Case
A 1.067 3h 1.71
__end of dosing
B 0.700 initial 1
r cp, (J/kgK)
begin 1634 0 1 2 3 4 5
end 3805
fdl h