“ISOMERIZATION IN A CONTINUOUS STIRRED TANK REACTOR WITH

DWSIM SIMULATOR”

Calculating and simulating a homogenous reaction in CSTR using DWSIM

simulator

An Equipment Design submitted to the

Department of Chemical Engineering
Faculty of Engineering
Dr. Emilio B. Espinosa Sr. Memorial State College of Agriculture and Technology

In Fulfilment of the Requirement in ChE 411

RIVERAL, CHOYSON S.
SUGUITAO, GRACE JANE A.
 Chapter I
INTRODUCTION
Mixing in mechanical agitated vessels is one of the most common operations encountered in the
process industries. Such vessels are used for a multitude of tasks, including simple liquid
blending, solids suspension, liquid-liquid emulsification, gas-liquid dispersions and chemical
reactions. Often in industrial applications, agitated vessels are used in a continuous operating
mode. Continuous stirred tank reactors (CSTR) have advantages over batch operation as they
allow sustained high production rates, improved control and decreased operation time with the
elimination of pump-out and filling stages, as well as between-cycle cleaning (Oldshue, 1983).

The effectiveness of a continuous stirred tank reactor (CSTR) largely depends on the
hydrodynamics and turbulence levels within the vessel, which are influenced by factors such as
operating conditions, the design of the agitator and vessel, and the positioning of inlet and outlet
streams. In chemical reactions, high turbulence and energy dissipation rates are typically sought
to improve molecular-level mixing, combined with efficient convection and large-scale blending
to even out concentration gradients. High processing capacity with minimized operating time and
costs are crucial for optimal process performance.

In a typical CSTR setup, the feed enters via the top of the tank, circulates in the vessel due to the
flow generated by the impeller and then exits at the bottom. The choice of the feed flow rate in a
CSTR, and thus the mean residence time (τ = V/ Qf ), is often related to the macromixing time, t m,
in a batch vessel. Industrially, a typical value of the ratio τ/t m ~ 10 is often employed (Mavros et
al., 1997; Zannoud et al., 1991). For values of τ/ t m < 10, short-circuiting may be likely to occur,
putting at risk the performance of the reactor (Mavros et al., 2002). Theoretically, submerged
inlets or dip tubes which feed close to the impeller in a zone of intense turbulence are
recommended for efficient mixing. Practically, however, these may generate operational
problems, such as mechanical vibrations, corrosion, unwanted side reactions, and clogging
(Bhattacharya and Kresta, 2004). Surface feeds are therefore often preferred. These however
may be subject to mixing problems due to poor circulation and low turbulence in the upper
region of the tank. This is especially true for standard batch configurations with down pumping
impellers (Jaworski et al., 1991; Kresta and Wood, 1993; Bittorf and Kresta, 2000, Aubin et al.,
2001).

In today’s age where the environment and sustainable development are key issues, process
improvement is a major preoccupation of industrialists. To improve the performance of CSTRs
in terms of mixing and hydrodynamics, but also throughput capacity, operating time and costs,
several approaches may be taken.

 If the inlet stream is fed into the tank as a high velocity ‘jet’, it is expected that the
surrounding bulk fluid will be entrained into the feed zone, thus improving mixing,
regardless of the local turbulence levels. In addition, the high inlet velocity means that the
feed will be transported quickly to the impeller region where it will then be exposed to
high turbulence and better mixing. Bourne and Hilber (1990) have previously shown that
high feed velocities can be beneficial for fast chemical reactions in semibatch reactors,
resulting in a decrease in by-product yield. Applied to CSTRs, a high velocity feed could
 also be interesting for ‘intensifying’ the operating conditions by increasing the liquid
flow rate and reducing the mean residence time, as already discussed by Mavros et al.
(2002). However, the major difficulty associated with high velocity inlets is that the jet
can pass directly through the impeller swept volume to the outlet, bypassing the majority
of the tank volume and turbulent zones. To avoid this, the impeller speed has to be
increased significantly.
 Up-pumping axial flow impellers have been shown to provide considerable advantages
over the typical down-pumping mode and also traditional radial disc turbines, with
respect to power and mixing characteristics in both single and multiphase applications
(Nienow 1996, 1999; Hari-Prajitno et al., 1998; Mishra et al. 1998; Aubin, 2001; Aubin
et al., 2001). In batch systems agitated by a single impeller, the up-pumping agitator
generates two large circulation loops, which provide a higher circulation rate of liquid in
the vessel and better turbulence characteristics, especially in the upper regions of the tank
(Mishra et al., 1998; Jaworski et al., 2001; Aubin 2001; Aubin et al., 2001, 2004). This
feature is particularly interesting for surface feed applications. Bhattacharya & Kresta
(2004) have recently shown that an up-pumping pitched blade turbine situated close to
the liquid surface is a robust configuration for improving micromixing and thus
minimizing by-product formation in cases where surface feed is required in a semi-batch
tank. Another feature of up-pumping impellers is the reduced mixing times by up to 20%
compared with the down-pumping operation (Aubin, 2001). Considering a time ratio τ /
tm ~ 10 at a given agitation speed and feed flow rate for a standard down-pumping
configuration, an up-pumping impeller operating in the same conditions will give rise to a
higher time ratio due to the shorter mixing time. This suggests that the inlet flow rate of
the up-pumping configuration can be increased to obtain τ / tm ~ 10, thus increasing the
total throughput capacity, whilst remaining in a ‘safe’ operating zone.
 The location of the feed position also plays an important role in the operability of a
continuously-fed stirred tank. Khopkar et al. (2004) have shown using CFD that by
reversing the flow direction of an CSTR – inlet at the bottom and overflow type outlet –
coupled with an increased rotational speed, fluid short-circuiting is reduced compared
with the typical configuration.

The motivations behind this work are based on the following observations and conclusions.
Firstly, it appears that in CSTRs with down-pumping impellers, short-circuiting problems are
decreased when the feed flow and the impeller pumping direction are counter-current. Secondly,
under intensified operating conditions, whereby the feed flow rate is increased, mixing may be
promoted for surface feeds however there is a risk that the high velocity feed will pass straight
through the impeller swept volume, leading to short-circuiting. Thirdly, the use of up-pumping
axial flow impellers has been shown to decrease the mixing time and increase turbulence in
batch reactors, as well as to lower by-product formation of reactive systems in semi-batch tanks.
These observations suggest that the operating performance of a continuously fed stirred tank
could be improved in one of two ways:

1. By using up-pumping axial flow impellers the mixing time decreases, which means that
higher feed flow rates can be handled for the same characteristic time ratio, τ / tm. This
could then lead to decreased operating times and therefore higher throughput.
Furthermore, the counter-current configuration of an up-pumping agitator and a feed inlet
 at the top of the tank suggests that short-circuiting problems could possibly be overcome,
whilst improving mixing characteristics in the upper tank.
2. By adding a second feed inlet to the reactor, the total feed flow rate into the tank can be
increased, thus intensifying the process, without the short-circuiting problems caused by
a high velocity jet.

Continuous stirred tank reactor (CSTR) is a type of chemical reactor that is widely used in
industrial processes to produce chemicals, pharmaceuticals, and other products. In a CSTR flow
reactor, reactants are continuously fed into the reactor vessel, where they are mixed and allowed
to react, producing the desired products. The CSTR consists of a large tank or vessel, typically
made of stainless steel, which is equipped with a stirring mechanism, such as a mechanical stirrer
or an agitator, that keeps the reactants in motion and ensures that they are well-mixed. The
reactants are introduced into the tank through inlet ports, and the products are continuously
removed through outlet ports.

Constant stirring guarantees ensures that the reactants are dispersed uniformly throughout the
vessel and that the reaction continues at a consistent rate, make it the essential component of a
CSTR flow reactor. This make it possible to precisely regulate the reactants and product flow
rates, thereby adjusting the temperature, pressure and concentration of the reaction. Because the
constant mixing guarantees that the reaction goes to completion, CSTR are especially well-suited
for reactions that demand high conversion rates or yield intermediate products. They are also
frequently utilized in bioreactors to cultivate microorganisms like yeast or bacteria, which need
to be constantly stirred to guarantee healthy growth and metabolic activity.

In this equipment design project, a CSTR is designed for the isomerization of cis-2-
butene and trans-2-butene. 2-butene is a four carbon alkene that exists as two geometric isomers:
cis-2-butene and trans-2-butene. The irreversible liquid phase isomerization reaction with 1st
order reaction kinetics is shown below. It is desired to determine the time required to reach 90%
reaction conversion in a continuous stirred tank reactor (CSTR). Assume steady state.
 Fig.1 Homogenous reaction

Chapter II

PROCESS DESCRIPTION

2.1 Process Description

The Continuous Stirred Tank Reactor (CSTR) is consists of a cylindrical dish bottom tank, made
of stainless steel for durability equipped with a 3-blade axial flow Mixel TT impeller to ensure
uniform mixing, four baffles positioned flush against the vessel wall, two inlet tube for
introducing the feed, and one outlet tube for discharge.

2.2 Process Flow Diagram

 Fig. CSTR Process Flow Diagram

Chapter III

3.1 Overall Mass Balance

Fig. Overall Mass Balance

(Eq. )
3.2 Thermodynamic Properties

3.3 Economic Margin

Category Amount
Capital Costs
Reactor Vessel Cost ₱101,934
Impeller Cost ₱672,000
Baffle and Accessories ₱112,000
Jacket (for heat transfer) ₱196,000
Instrumentation and Controls ₱280,000

Installation and ₱224,000

Commissioning
Total Capital Costs ₱1,585,934
Operating Cost (Annual)
Energy Cost ₱896,000
Labor Costs (Operational & ₱3,640,000
Maintenance)
Raw Material Costs (Feed ₱20,160,000
stock)
Maintenance Costs ₱79,297
Total Operating Costs ₱24,775,297
Revenue Generation
Revenue (328.5 tons x ₱25,704,000
P78,400/ton)
Economic Margin Analysis
Operating Margin ₱928,703
Return on Investment 58.5%
(ROI)

1. CAPITAL COSTS
Reactor Vessel Cost:
Reactor Volume: 2.427 m³
Cost per m³: ₱42,000 (₱750 x 56)
Reactor Vessel Cost = 2.427 m³ x ₱42,000 = ₱101,934
Impeller Cost:
Cost Estimate = ₱672,000
Baffle and Accessories Cost:
Cost Estimate = ₱112,000
Jacket (for heat transfer):
Cost Estimate = ₱196,000
Instrumentation and Controls:
Cost Estimate = ₱280,000
Installation and Commissioning Costs:
Installation Estimate = ₱224,000
Total Capital Costs = ₱101,934 + ₱672,000 + ₱112,000 + ₱196,000 + ₱280,000 + ₱224,000 =
₱1,585,934

2. OPERATING COSTS (ANNUAL)

Energy Costs:
Energy consumption = 20 kW, Operating hours = 8,000 hrs/year
Electricity Cost = ₱5.60 per kWh (₱0.1 x 56)
Energy Cost = 20 kW x ₱5.60/kWh x 8,000 hrs = ₱896,000
Labor Costs:
Operational Labor = ₱2,800,000 (₱50,000 x 56)
Maintenance Labor = ₱840,000 (₱15,000 x 56)
Labor Cost = ₱2,800,000 + ₱840,000 = ₱3,640,000
Raw Material Costs (Feedstock):
1 ton/day x ₱56,000/ton (₱1,000 x 56) x 365 days/year = ₱20,160,000
Maintenance Costs:
5% of Capital Costs = 5% x ₱1,585,934 = ₱79,297
Total Operating Costs = ₱896,000 + ₱3,640,000 + ₱20,160,000 + ₱79,297 = ₱24,775,297
3. REVENUE GENERATION
Product Yield: 90% of 1 ton/day x 365 days = 328.5 tons/year of trans-2-butene.
Revenue Estimate: Average price = ₱78,400/ton
Revenue = 328.5 tons x ₱78,400/ton = ₱25,704,000

4. ECONOMIC MARGIN ANALYSIS

Annual Operating Margin: Revenue - Operating Costs
Margin = ₱25,704,000 - ₱24,775,297 = ₱928,703

Return on Investment (ROI):

ROI = Operating Margin / Total Capital Costs
ROI = ₱928,703 / ₱1,585,934 ≈ 58.5%

Chapter IV
4.1 Continuous Stirred Tank Reactor (CSTR)

The vessel used in this study is a cylindrical dished bottom tank (H = T = 0.19 m) equipped with
a 3-blade axial flow Mixel TT (MTT) impeller (D = T/2; C = T/3) and four baffles (bw = T/10)
positioned flush against the vessel wall. The impeller is used in either the down- or up-pumping
modes, designated at MTTD or MTTU, respectively. In a typical setup of the continuous mode
operation, the liquid stream is introduced into the tank via a single tube with an internal diameter
of 0.01 m (dinlet), located midway between two adjacent baffles, 0.043 m away from the agitator
shaft and the tip at 0.153 m from the vessel bottom. The outlet is 0.04m in diameter (doutlet) and
is situated at the centre of the bottom of the vessel. This is the same setup that has been used in
previous experimental Laser Doppler Velocimetry (LDV) studies for both batch (Aubin et al.
2001) and continuous (Mavros et al. 1997) mode operation. An ‘intensified’ setup of the
continuous mode includes a second inlet tube, which is situated directly opposite the first inlet.
The apparatus is shown in Figure 1.

4.2 Main Body Design

Chapter V
5.1 Overall Labels
5.2 Dimensions and Specifications

Equipment : Continous Stirred Tank Reactor

Process: Nitration of benzene
Material of Construction: Stainless Steel GR 316
Top Head: Spherical
Bottom Head: Ellipsoidal
Design Temperature: 154 deg F
Design Pressure: 39.7 psi
Reactor Volume: 2.427496 m3(w/ 10% freeboard)
Optimum Diameter: 1.453 m
Optimum Liquid Height: 1.453 m
Impeller Type: Pitched Blade Turbine Impeller
Baffle Type: No baffle, Offset center stirrer
Jacket Type: Half-pipe 2’Sch 40 coil
 Chapter VI

6.1 Conclusion