Fundamental experimental and numerical analysis of stirred liquid/liquid systems for PVC-production in slim reactors with multi-stage stirrers

PVC is in terms of revenue one of the most important
products of the chemical industry. Globally over 50% of
PVC manufactured is used in construction. Worldwide
80 % Percent of PVC is produced by suspension
polymerisation. In such processes mechanical agitation is
used to mix the monomer droplets into an aqueous liquid
phase. Growing markets and growing economies lead to
higher PVC production rates. Limits and demands in
space and transportation are changing the outfit of the
used mixing reactors. The height (H) is increasing with
constant diameter (D). Did most of the apparatuses start
with a ratio of height vs. diameter of one, ratios of two to
three are normal today and ratios of over four are expected
for the nearer future. Such unique geometries need to
fulfil the still growing exigencies in economy and
ecology. Therefore the analysis and optimisation of such
liquid/liquid systems is of major interest for the chemical
industry.
The step of scaling up a reactor from pilot plant to
industrial scale is an issue where much empiricism is still
used and where expensive and time-consuming
experimental programs are usually required [VivaldoLima
et al. 1997] and only accurate prediction of system
behaviour will change that situation. To develop such
prediction methods cooperation was set up between the
Vinnolit GmbH & Co. KG and the TU-Berlin.
From the different tasks for scale up and for the
production process of PVC the dispersion of the two
immiscible liquids is of major interest for this work. So
the drop size distributions of two model systems,
chlorobutanol/water and toluene/water, were analysed.
Here parameter variation for reactor height vs. diameter
(1.0 to 4.5), stirrer type (Rushton turbine, Retreat Curve
Impeller, single and multi-stage stirrer systems),
dissipation rate, dispersed phase fraction (5 to 50 Percent)
and influence of colloids were carried out for the named
systems. For the mathematical description of such drop
size distributions (DSD) a quantitative understanding of
drop breakage and coalescence mechanisms is essential to
develop predictive models. The mathematical model used
here is the Population Balance Equation (PBE).
After adaptation and enhancements of classical models
from the literature (Coulaloglou & Tavlarides 1977;
Kumar & Ramkrishna 1996, Alopaeus et al. 2002)
simulations for the presented system were carried out. The
use of colloids is inevitable for the suspension
polymerisation and resulting in a strong inhibition of
coalescence. So a major focus on breakage submodels of
the PBE was set. Therefore single drop breakage events

were carried out to analyze crucial influence parameters of
the breakage rate like breakage time and energy
dissipation rate. These results were used to validate and
enhance the breakage submodels of the PBE. Then the
simulation results from different models were compared
with the experimental data and each other.
METHODS
A special in-situ endoscope technique has been developed
[Ritter & Kraume 2000; Maaß et al. 2007b]. With this
technique, drop size distributions for all phase fractions
even under transient conditions can be determined with
high time resolution . The Population Balance
Equation is applied with the intention to calculate these
transient drop size distributions in the stirred system. In
order to solve the transient space averaged PBE, the
commercial numerical solver PARSIVAL® (Particle Size
Evaluation) [Wulkow et al. 2001] is applied. For the
parameter estimation the experimental data of the stirred
vessel are used. The fitted parameters had to be
significant, i.e. the confidence interval was required to be
small compared to the value of the parameter, and they
had to be independent from each other.
The single drop experiments are carried out in an in house
developed breakage cell (Maaß et al. 2007a).

Modeling Flow and Residence Time Distribution in Reactor with Plunging Jet with/without Agitation

Quantifying the flow and residence time distribution (RTD) in a reactor is critical for predicting reactor performance measures such as yield and selectivity. This work investigated a continuous industrial scale reactor (diameter 11 ft, height 37 ft) employing a 3-stage agitation system with a plunging jet inflow. In operation, the agitation and liquid level are adjusted based on throughput and the specific product being produced. The objective of this work was to quantify RTD under the different operating conditions of liquid level, throughput and agitation. Flow in the reactor was modeled with computational fluid dynamics (CFD). A combination of different modeling approaches was used to better facilitate the CFD simulations. The Volume of Fluid (VOF) method was used to model the plunging jet (gas-liquid) two-phase flow with unsteady-state simulations, while the Multiple Reference Frames (MRF) model was used to model the stirred tank with steady-state simulations. The two modeling approaches were interfaced by using the plunging jet simulation result as the input boundary condition for the reactor flow simulation. The effect of gas entrainment from the plunging jet impingement was accounted for by using the (dampened) velocity profile of the impinging jet. The RTD was obtained from stochastic particle tracking which tracks trajectories and residence times of massless tracers in the reactor. The Random Walk Model was used for dispersion of tracers due to turbulent eddies. A large number of tracers (>10,000) was needed to account for the random effects of turbulence and ensure statistically stable results. The Time Scale Constant in the Radom Walk Model was adjusted to accommodate significant turbulence level differences in discreet regions of the tank. The CFD-predicted flow pattern compared well with lab-scale experiments. The predicted mean RTD was consistent with the bulk reactor turn-over time

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