reactor design experimental plan – andy schultz there are several variables involved in the...

Reactor Design Design Laboratory - Sarkeys E111

September 1st, 8th, 15th & 22nd, 2015

CHE 4262-002 Group E

Eric Henderson

Nadezda Mamedova

Andy Schultz

Xiaorong Zhang

2

Executive Summary – Nadezda Mamedova

Purpose: The purpose of this experiment was to design the most efficient system that could

saponify a waste stream of 0.12 M ethyl acetate, flowing at 65 million pounds per year, into

sodium acetate using sodium hydroxide. The engineers assigned have assumed that the reactor

will be an addition to an existing plant with the space available to add the reactor. Further, our

group assumed the plant is located near a facility which uses our byproduct, the sodium acetate.

How information was obtained: The group compared the efficiency of a batch reactor, a CSTR,

and a PFR in the laboratory at temperatures of 10°C, 20°C, and 25°C, by using concentrations of

0.10M sodium hydroxide and ethyl acetate. The conversion was calculated using the conductivity

of the mixture at various time points during the reaction. This information was then use to select

the most efficient reactor style. The group then used the information from that reactor to scale up

the design to industrial setting.

Key findings: It was concluded that the CSTR setup was more efficient than the batch design or

the PFR. Our data indicated that the results gathered were accurate with an error of less than 5%.

The overall cost of the reactor is $2,819,779.37for the first year.

Disclaimers and Recommendations: The results indicate the use of a CSTR reactor is most

economical. For future use, the group would be able to make more accurate cost estimations with

more information about the requirements for the reactor: pressure range, temperature range, and

expected disturbances. Since these parameters were not specified, our team took the liberty of

assuming no disturbances, atmospheric pressure, and using 10°C-25°C as the temperature

operating range.

3

Introduction – Nadezda Mamedova

Our engineers are currently working on developing a reactor design for an economical reactor

system that will convert ethyl acetate to sodium acetate by saponification. Sodium acetate is used

heavily in both domestic and industrial settings such as personal hygiene (soap), detergents,

paints, adhesives, herbicides and insecticides.1 For the purpose of this laboratory experiment, the

group focused on converting a 0.12M waste steam of ethyl acetate into sodium acetate. The

reactor will need to process 65 million pounds per year of ethyl acetate. The objective was to

determine the most economical reactor design.

The small system in our laboratory allows for testing of two reactor designs, a batch reactor and

a continuously stirred tank reactor (CSTR). Another reactor design, the plug flow reactor, can

also be considered by doing calculations on data gathered from the batch CSTR. The data from

the experiments on the efficiency of the three reactor designs and determined a final design from

comparing the economic benefits of each reactor when scaled up to industrial use.

Assumptions include that this reactor will be an addition to an existing plant with adequate space

to add the reactor. Another assumption is that the plant is located next to another plant that will

use the sodium acetate we have made.

For our laboratory, saponification of ethyl acetate was tested using 0.10 M concentrations of both

sodium hydroxide and ethyl acetate.

4

Theory – Nadezda Mamedova

The saponification of ethyl acetate with sodium hydroxide is considered a first order reaction

with respect to individual reactants and second order overall. This is a good assumption for the

limits of concentration (0.10M) and temperature (10-25°C) studied.

The reaction is

NaOH + CH3COOC2H5 CH3COONa + C2H3OH

Sodium Hydroxide (NaOH) + Ethyl Acetate (EtOAc) Sodium Acetate (NaOAc) + Ethyl Alcohol (EtOH)

The laboratory has a conductivity reader, and the results can be related to NaOH concentration

by the following equation:

[1]

Where,

= specific conductivity at time t

= specific conductivity at time t=0

= specific conductivity at time t=∞

= NaOH concentration at time t

= NaOH concentration at time t=0

= NaOH concentration at time t=∞

For the saponification reaction of interest, the concentration of sodium hydroxide should

decrease to zero as time progresses. If carried out in a batch reactor, the fractional conversion (X)

can be calculated using the following two equations:

[2]

[3]

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The conductivity of the reaction mixture changes with conversion. Therefore, the extent of the

reaction can be monitored by recording the conductivity with respect to time. A calibration curve

is needed to relate conductivity data to concentration values.

A batch reactor is a vessel where nothing is added or removed from the vessel while the reaction

is taking place. It is commonly used in small scale production. The advantages lie in a high

conversion per volume, and flexibility of operation between products.

Continuous-stirred tank reactors (CSTRs) are common in industrial processes. For this type of

reactor, mixing is assumed to be complete. This means that the temperature and the composition

of the reaction mixture are uniform in all parts of the vessel and are the same as those in the exit

stream.

Plug flow reactors (PFRs) have one or more fluid reagents pumped through them. The chemical

reaction proceeds as the reagents travel through the PRF. Fluid in a PFR can be considered to

flow through an infinitesimally small CSTR in series with other CSTRs. Most industrial

reactions do not proceed to 100% completion in a CSTR since the rate of reaction decreases as

reactants are consumed, eventually reaching dynamic equilibrium. These reactors are commonly

used in industry for slow reactions and continuous production.

The information gathered from these reactors was used to scale up from what our laboratory had

to what was needed in an industrial setting using a scale up factor. This scale up factor was found

from the ratio of our flow in to the flow needed to be processed.

6

Design Plan - Xiaorong Zhang

The main purpose of this experiment is to select a reactor from a batch reactor, CSTR, and PFR,

for industrial use by comparing the efficiency and operational costs of each to achieve 90%

conversion of the ethyl acetate waste stream. The pilot trials are required to select a reactor on a

small scale. During the pilot trials, residence time and conductivity were determined. Residence

time is used to compare reaction rate, and conductivity is used to find the conversion of the

reaction. Both are important for comparing efficiency of the reactors. Temperature and stirring

rate also need to be determined during pilot trials to achieve our goals of comparing reactor

designs.

For economic optimization, many factors need to be considered. First, equipment cost will be

compared to add a batch reactor versus a CSTR to an existing plant. The cost of a 500-gallon

industrial use CSTR/batch reactor is $70,000 (2004).2 Second, the two parts of operating cost

will be discussed. One part is the cost of raw materials, which refers to the consumption of

sodium hydroxide ($340-380 per ton), while the other part is operating time, which refers to

utilities and labor.

Some assumptions need to be made for the scale up. The first assumption is that the temperature

and pressure that our engineers are experimenting at is comparable to what will be done in the

industrial setting. Because of this, a first order reaction that requires equimolar concentrations of

ethyl acetate and sodium hydroxide can be assumed. This will lower cost of product material

while still maintain high conversion. From the pilot trial to a plant level, we assume that the scale

up ratio will be a reasonable assumption to calculate the required size and flow rate of our

required reagents.

7

Experimental Plan – Andy Schultz

There are several variables involved in the operation of the batch and CSTR for this experiment.

Important independent variables that were manipulated include the ethyl acetate flow rate,

sodium hydroxide flow rate, temperature of the process inside the reactor(s), and the agitation or

mixing (motor speed) of the process inside the reactor. The operating ranges of these variables

are shown below in Table 1. The flow rates of ethyl acetate and sodium hydroxide were used to

control the rates of reaction and concentration profiles of each species’ conjugate acid/base pair.

For instance, ethyl acetate and sodium hydroxide could be added simultaneously into a reactor at

the same flow rate or at different flow rates. Furthermore, one species could be added to a reactor

first, while the other is added later at a lower flow rate, thereby controlling the rate of reaction

and concentration of each species and its conjugate species.

Temperature inside the reactor was controlled by use of a propane refrigerant via a cooling

system. This variable was manipulated to determine whether an increase or decrease in

temperature from ambient conditions affects conversion and to what extent. The motor speed of

the agitator is manipulated to control the mixing of the species and thereby the rate of reaction

and conversion. A motor speed was chosen to maximize agitation (mixing) without creating

excessive turbulence.

VARIABLE OPERATING RANGE UNITS

Ethyl Acetate Flow Rate 0 – 90 mL/min

Sodium Hydroxide Flow Rate 0 – 90 mL/min

Temperature 10 – 25 °C

Agitation 0 – 300 RPM

Important dependent variables that were measured or calculated include the concentration of ethyl

acetate, the concentration of sodium hydroxide, the volume of ethyl acetate, the volume of sodium

hydroxide, and the conductivity of the ionized species (sodium acetate) throughout the process.

The volume of ethyl acetate and sodium hydroxide was calculated using the flow rate of each

Table 1: Operating ranges of experimental independent variables

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species over a set amount of time. Conductivity of sodium acetate is the paramount dependent

variable and was used to determine the final concentration of each species as well as the conversion

of the reaction.

The primary effect studied in this experiment was the conductivity of the ionized species. The

group spent available laboratory days collecting conductivity data for both a batch reactor and

continuously-stirred tank reactor at various temperature increments and a set agitation. The

experiments were started at the high end of the refrigeration operating temperature range and work

toward the low end of the range by increments of 10°C then re-evaluating at smaller temperature

increments as time permits. Conductivity data was recorded for both reactors at that chosen

temperature increment before moving to another temperature increment. In this way, sufficient

data was recorded during each lab period to evaluate and compare the performance of the reactors.

Group E followed the schedule outlined in Table 2 below.

Though the experiment calls for an evaluation of a plug flow reactor, due to limitations of the

laboratory and the absence of a reactor of this type, the above measurable values will not be

evaluated for a plug flow reactor. The design calculations for the PFR were calculated using data

gathered from the CSTR experiments.

DATE TASK

9/8/2015 Measured conductivity data for batch and continuously-stirred reactors at

T=25°C. Determined proper procedure for each process.

9/15/2015 Measured conductivity data for batch and continuously-stirred reactors at

T=25°C. Repeated for T=20°C and T=10°C

9/22/2015 Evaluated data for errors. Repeated experimental conditions as needed.

Table 2: Tasks assigned for each laboratory date.

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Apparatus – Andy Schultz

The group evaluated the efficiency and time required to convert ethyl acetate to ethanol by use of

sodium hydroxide via a batch reactor and a continuously stirred tank (CST) reactor. Available to

the group in the laboratory were two glass reactors each having a capacity of approximately 1.50

liters. Both reactors were positioned on an operating panel. Reactor one was positioned above

and to the left of reactor two such that fluid accumulated in reactor one could freely flow from

the bottom of reactor one into reactor two by gravitational force. Multiple plastic tubes

connected the reactors allowing the direction of fluid flow into and out of each reactor to be

manipulated in various ways. Hard plastic valves and stopcocks located at tube and reactor

junctions were adjusted to control the direction of fluid flow into or out of the reactor(s). One 3.2

gallon per minute electric drive centrifugal pump was used to pump ethyl acetate and sodium

hydroxide into reactor one. Two flow meters located at the top left corner of the operating panel

were used to control the flow rate at which ethyl acetate and sodium hydroxide entered reactor

one. The operator was able to choose a flow rate for each fluid in the range of 10-90 milliliters

per minute. This flow manipulation proved to be an important part in the evaluation of each

reactor design. Located between each reactor was a conductivity analyzer. The group used this

device to analyze the progress of the reaction between ethyl acetate and sodium hydroxide – that

is, the higher the measured value, the more dissociated sodium ions present in the mixture, thus

the further the reaction had progressed.

Also located between the reactors was a small electric suction pump. The group used this pump

to control the direction fluid flow into either a recycle into reactor or to waste bin. Located inside

each reactor were cooling coils through which a refrigerant flowed from a cooling system located

behind the operating panel. The group used the refrigeration system to choose a temperature set

point in order to control and maintain the temperature inside each reactor. An indicator located in

the upper right corner of the operating panel was used in conjunction with a thermocouple inside

each reactor to measure and monitor temperature within a specified reactor.

Several operating variables were controlled and manipulated by the group in order to properly

evaluate the efficiency of each reactor design. Reactions in a batch reactor or CSTR were

analyzed under different specified temperature set points from 10 to 30 degrees Celsius in five

degree increments. These temperature set points were made under the assumptions that the

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reaction between ethyl acetate and sodium hydroxide proceeds as a first order reaction and the

thermodynamic principle that the rate of reaction is temperature dependent. Therefore, it was

postulated that the reaction would proceed faster at higher temperature set points. The group

chose to keep agitation rate constant throughout the experimentation process to allow

comparison between methods and temperature changes. The flow rates of the ethyl acetate and

sodium hydroxide were manipulated to create either the batch reactor process or CSTR process.

To operate the experiment as a batch reactor, a temperature set point was chosen and selected on

the cooling system. The temperature indicator on operating panel was turned on and the

appropriate channel was selected to observe the temperature in the reactor of interest. Channel

one measured temperature within reactor one while channel five measured temperature within

reactor two. Next, the conductivity meter was turned on. Then the valves and stopcocks located

between the reactors were oriented such that the ethyl acetate and sodium hydroxide would flow

out of the bottom of reactor one, through the conductivity meter, and then recycle back into the

top of reactor one. In this way, no fluid would flow into reactor two. The stopcock allowing flow

out of reactor one was closed to allow accumulation inside reactor one. Next, the pumps for both

ethyl acetate and sodium hydroxide were turned on. The flow meters were then opened to the

same specified flow rate (30 mL per minute) and allowed to accumulate in the reactor for a

specified amount of time (3 minutes). This time frame was determined by experimental

observation. At the specified inlet flow, it took approximately three minutes for the laboratory

reactor vessel to be filled half way. After the specified time period had passed, the agitator was

turned on to a specified rotation rate (200 rotations per minute). The group determined that this

was an appropriate agitation speed through experimental observation. At this speed, the fluid was

properly mixed without excessive turbulence occurring within the reactor. Next, the valve

preventing flow out of the reactor was opened to allow the ethyl acetate and sodium hydroxide

mixture to flow out of the reactor and the suction pump was turned on. The suction pump pulled

the mixture from the bottom of reactor one, through the conductivity meter, and pumped it back

into reactor one as a recycle stream. Conductivity measurements were recorded every minute

until steady state was reached. The group determined that steady state was reached when no

more sodium ions were dissociated. This was observationally interpreted by the conductivity

measures – that is, when the measured conductivity value remains the same over a period of time

(i.e., three to five minutes), it can be assumed that all of sodium ions have dissociated and the

11

reaction has gone to completion. The group repeated this process at several temperature set

points to compare the time required for the reaction to reach steady state.

To operate the experiment as a CSTR, the procedures described above are largely applicable.

The primary difference is the initial flow to fill up reactor one consisted only of ethyl acetate.

After the specified time was reached, the stopcock below reactor one was opened and the suction

pump was turned on to allow the ethyl acetate to flow through the conductivity meter and recycle

back into reactor one. Next, the pump for sodium hydroxide was turned on and the flow meter

was opened to allow sodium hydroxide to flow into the system at a specified flow rate (10 mL

per minute). As with the batch reactor, conductivity measurements were taken every minute until

steady state was observed to be reached. The process was then repeated at several temperature

set points to compare the time required for the reaction to reach steady state. Finally, the batch,

CSTR, and PFR design setups were compared to determine which reactor design would be the

most effective for our experimental purpose.

There were many hazardous conditions presented to the group throughout the experimentation

process. Ethyl acetate and sodium hydroxide are skin and eye irritants (CDC) while ethyl acetate

is hazardous in cases of ingestion or inhalation (Science Lab). Due to its quick vaporization at

ambient conditions, the liquid propane used in the cooling system can act as an asphyxiant if

inhaled (Thermoscientific). Additional safety hazards in the laboratory include broken glassware

and potential malfunctioning of the feed and suction pumps.

In order to prevent injury or exposure due to these laboratory hazards, appropriate personal

protective equipment was used throughout the experimentation process. This included wearing

long sleeve shirts and pants to prevent skin exposure to chemicals, safety glasses to protect the

eyes in cases of chemical vaporization or airborne broken glass, face masks to prevent chemical

inhalation, and gloves when handling chemicals.

12

EtOAc NaOH NaOAc EtOAc NaOH NaOAc EtOAc NaOH NaOAc

Flow Rate [mL/min] 100 100 0 100 100 0 100 100 0

Time [s] 180 180 180 180 180 180

Volume [mL] 300 300 300 300 300 300

Initial Concentration [M] 0.12 0.1 0.12 0.1 0.12 0.1

Final Concentration [M] 0 0.06 0 0.06 0 0.06

Agitation [rpm] 200 200 200

Total Volume [mL] 600 600 600

Initial Conductivity (Co)[mS] 21.38 21.38 0.71

Cinfinity 4.91964 4.91964 4.91964

Conductivity @ X=0.9 6.565676 (solver) 6.565676 (solver) 4.498674 (solver)

(1-X) 0.1 0.1 0.1

Conversion (X) 0.9 0.9 0.9

Batch CSTR *Method 1 CSTR **Method 2

Experimental Results – Eric Henderson

The optimum reactor type for a saponification pilot plant was determined from testing a single

batch reactor and a single CSTR. With the rate constant (k) calculated at 10OC, 20OC, and 25OC,

a direct comparison for the pilot plant scale up design could be assessed. First, the theoretical

conductivity for each reactor type was calculated using Excel’s Solver and Equation 3 (from

Theory), knowing the initial sodium acetate and sodium hydroxide conductivities (21.38 mS &

0.71 mS, respectively), and setting the percent conversion (X) equal to 0.9.4

Table 3. Determining the theoretical conductivity at 90% conversion of NaOH for batch and CSTR

reactors using Solver, based on given initial conductivities of NaOH and EtOAc4

*EtOAc added at 30 mL/min to 300 mL NaOH **NaOH added at 30 mL/min to 300 mL EtOAc

When a theoretical value for the conductivities at X=90% had been found, determination of the

rate constant (k) for a single batch reactor was carried out for 10, 20, and 25OC. 150 mL of ethyl

acetate (concentration = 0.12 M) and 150 mL of NaOH (concentration = 0.10 M) were added to a

stirred batch reactor. The conductivity of the ionized species was collected every minute for at

least 30 minutes. During this time the temperature decreased by 3OC, whereas the conductivity

decreased 3.04 mS (for 25OC run). By using these values specific for each run in Equation 3 (from

Theory), the concentration and percent conversion could then be derived (See Figure 1).

A similar calculation procedure was used for the CSTR: however, two methods were used to check

for the optimal process operation. For Method 1, EtOAc was added at 30 mL/min to 300 mL

NaOH, whereas for Method 2, NaOH was added at 30 mL/min to 300 mL EtOAc.

13

Batch @ 10OC Batch @ 25OC

CSTR *Method 1 @ 25OC CSTR *Method 1 @ 10OC

Figure 1. Comparison of 1/CNaOH vs. Time for Batch and log10 (-Reaction Rate) vs. log10

(Concentration) for CSTR at 10 and 25OC. Circled in red is the point at which 90% conversion is

reached. *EtOAc added at 30 mL/min to 300 mL NaOH

From Figure 1, the rate constant (k) for the batch reactor is the slope of the line, whereas for the

CSTR k = 10y-intercept. The rate constant for this experiment increases with an increase in

temperature, regardless of which reactor type was used. However, this shows our data had

sources of error involved in the batch trials, since the rate constant for the batch at 10OC and the

CSTR at 10OC were not the similar (see Table 2 below).

14

CSTR *Method 2 @ 10OC CSTR *Method 2 @ 25OC

Table 4. Rate constants and volumes of materials used in saponification reaction for each reactor

type

The rate constant for each temperature stayed relatively similar for the CSTR, regardless of the

method used. This gives us confidence in our CSTR results. Method 2 with the CSTR (NaOH

added at 30 mL/min to 300 mL EtOAc) resulted in a much lower average reaction rate time (4.46

min as opposed to 8.83 min with Method 1) and the least amount of materials used. By adding

the more reactive EtOAc to the reaction vessel first, only a small quantity of NaOH needed to be

added for the saponification reaction to reach completion, producing NaOAc and EtOH (See

Figure 2).

Figure 2. 1/CNaOH vs. Time for CSTR at 10 and 25OC. Circled in red is the point at which 90%

conversion is reached. The 100% Conversion Line denotes where the saponification reaction

reaches completion. The right side of this line jumps to a high 1/CNaOH value because NaOH is

being added in excess (NaOH saturation). *NaOH added at 30 mL/min to 300 mL EtOAc

k [L/(mol*min)] Time [min] NaOH Used [mL] EtOAc Used [mL]

Batch 10C 1.3745 28.4 300 300

Batch 25C 2.0662 46.5 300 300

CSTR Method 1 10C 0.0253 10.2 300 306

CSTR Method 2 10C 0.0218 3.56 106.8 300

CSTR Method 1 25C 0.0666 7.45 300 223.5

CSTR Method 2 25C 0.0655 5.36 160.8 300

For X = 90%

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Cond. Theory [mS] Cond. Exp. [mS] % Error

Batch 10C 6.565676 6.56 0.08644959

Batch 25C 6.565676 6.54 0.391064073

CSTR Method 1 10C 6.565676 6.57 0.065857651

CSTR Method 1 25C 6.565676 6.40 2.523365454

CSTR Method 2 10C 4.498674 4.44 1.304259585

CSTR Method 2 25C 4.498674 4.57 1.585480562

Error Analysis

Pertaining to the linearity of the graphs up to the 90% conversion mark, the batch reactor had the

highest average R2 value of 0.9814, therefore confirming a second order reaction. The R2 values

for each method using a CSTR averaged above 0.8, which is respectable. By comparing our

experimentally found conductivity values to the theoretically calculated values in Table 3, our

percent error of each value is less than 5%, so the results from our data are statistically

significant (See Table 5).

Table 5. Determination of % Error of conductivity values in relation to experimental and the

values found in Table 1

Confidence in our results is also found by comparing our experimentally found k values with the

Arrhenius values at each temperature. In Table 6 the theoretical rate constants are obtained from

using the Arrhenius equation at our temperatures, along with an average pre-exponential factor

found from a related study.3

Table 6. Comparison of theoretical (Arrhenius values) and experimental rate constants at 10 and

25OC for batch and CSTR.

By analyzing Table 6 it is apparent that, in theory, k is independent of reactor type and only

depends on temperature. Upon calculation of percent error, our experimental data has

unfortunately produced statistically insignificant results. However, since we crosschecked our

CSTR data by using multiple methods, our data has produced a strong trend between each

temperature. In other words, for the CSTR each method produced a similar rate constant for the

same temperature. Due to this result, we can conclude that our experimental values are

appropriate for a scaled up pilot plant for a saponification reaction to determine the best reactor

Temp [C] Temp [K] k Theory [L/(mol*min)] k Exp. [L/(mol*min)] % Error

Batch 10 283.15 3.1062 1.3745 55.7495

Batch 25 298.15 7.5241 2.0662 72.5389

CSTR Method 1 10 283.15 3.1062 1.5204 51.0532

CSTR Method 2 10 283.15 3.1062 1.3054 57.9734

CSTR Method 1 25 298.15 7.5241 3.9962 46.8875

CSTR Method 2 25 298.15 7.5241 3.9323 47.7367

16

type based on cost. Based on our experimental data alone, the CSTR running at 25OC appears to

be the prime candidate, due to it having a low reaction time to 90% conversion (averaging 6.41

min) and the highest experimental rate constant (averaging 3.96 L/(mol*min)) with the lowest

average error (47.3%).

PFR Comparison – Eric Henderson

When comparing a PFR to a CSTR and

a batch reactor we already know that, in

theory, a PFR should outperform both.

This is because the conversion achieved

by a single PFR is equivalent to an

infinite amount of CSTR’s in series. By

using POLYMATH we found the

necessary PFR volume to be 589 L,

which is better than that of 600 L by the

batch and CSTR. Although the PFR

needs a smaller total volume and high

conversion per unit volume9, 11.0 L is a

negligible when cost is considered. An

uneven volume of 589 L would mean a

custom designed reactor which would

add extra cost to a scale up plant.

Furthermore, plug flow reactors are used

primarily for gas phases reactions9,

while continuously stirred tank reactors

can be utilized for liquid phase, gas-

liquid, and solid-liquid reactions10 so

CSTRs are much more versatile than PFRs. Both reactor types can be operated continuously at

low operating (labor) costs9,10; however, PFRs have poor temperature control and are expensive to

clean9 relative to CSTRs which are more adaptable to dynamic reaction conditions, easy to clean,

Figure 3. Determining the necessary PFR volume for

a 90% saponification conversion on an experimental

scale.

17

and are simple (inexpensive) to contruct10. For these reasons, a CSTR was determined to be the

most economical reactor for this expansion project.

18

Scaled Up Design - Xiaorong Zhang

The scaled up design is based on the data and results from pilot trials. The size of reactor is

determined by an enlarged pilot trial reactor with a ratio number. The ratio number is the ratio of

the flow rate of ethyl acetate used for pilot trial to the flow rate for the specified full-scale facility.

The amount of sodium hydroxide is also scaled up with this same ratio number. A 110 liter reactor

is selected for the scaled up design, which is reasonable for industrial use. Due to the kinetics of

the reaction and comparing the results among different trials, 10 Celsius would be used for cooling

system.

Documentation of economic optimum

With this size of CSTR, we used CAPCOST to calculate the MOC which include two pumps and

one heat exchanger (cooling system). Ethyl acetate and sodium hydroxide are the raw materials.

For product, ethyl acetate and sodium acetate are regarded as the waste and ethanol is our desired

product, which is going to sell to the market. Tables 6 and 7 show that the details of COM and cost

of materials in CAPCOST.

COM contains CRM, CUT, CWT and COL

which are shown on Table 6. Raw materials

included ethyl acetate, which is provided, and

sodium hydroxide (more information is

shown on Table 7). Utility costs include cooling water use and electricity use for the operating

process. Waste treatment costs refer to the waste as shown in Table 7. For cost of operating labor,

since our plant only contains one CSTR, we decided to use one operating laborer with CAPCOST

defaulted pay. COM was calculated by using:

COMd = 0.18*FCIL + 2.76*COL + 1.23*(CUT + CWT + CRM) [4]

Where FCIL is cost of equipment which is shown on Table 8

Table 7 shows the materials we used and materials on the production side. The price of each

material was found from Chemical Marketing Reporter.5 Ethanol is considered the desired product

Table 6. Cost of manufacture

CRM (Raw Materials Costs) 137,381$

CUT (Cost of Utilities) 1,429,632$

CWT (Waste Treatment Costs) 1,418,147$

COL (Cost of Operating Labor) 105,800$

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to be sold to a downstream oil refinery company or directly to the market. Sodium acetate and

ethyl acetate are considered the waste products, and the cost of waste treatment is calculated by

using CAPCOST. The estimation of total capital investment (TCI) and a summary of the annual

costs are shown in Table 9 and Table 10, respectively.

Design limitations and Assumptions

Constant T/P

Since the pilot trial was running under the assumption of temperature and pressure were

constant, the reaction kinetics might be different if this assumption is not met which means

the inlet flow rate and conversion rate might not agree with our data.

Sodium hydroxide reaching 100% conversion

As a limited reactant, sodium hydroxide was assumed to be consumed completely.

However, there will be excess sodium hydroxide on the production side. So, sodium

hydroxide needs to be considered as a waste unless the amount of sodium hydroxide is too

small. In our design, we recommend using sodium hydroxide in a 1:1 ratio due to reaction

stoichiometry. In the industrial setting, this would mean that if the reaction reached 90%

Table 7. Cost of materials

equip C (2014)

agitator 49,381.30$

exchanger 65,000.84$

pumps(2) 95,105.99$

drivers(2) 184,061.96$

reactor 20,805.92$

storage tank 109,583.51$

sum 523,939.52$

Table 8 Cost of equipment

Material Name Classification Price ($/kg) Flowrate (kg/h) Annual Cost

sodium hydroxide Raw Material 8.82$ 1.87 137,381.35$

alcohol Product (3.00)$ 1596.59 -39,860,416.01 $

sodium acetate Non-Hazardous Waste 0.04$ 2846.06 852,655.61$

ethylacetate Hazardous Waste 0.20$ 339.76 565,491.55$

sum -38,304,887.50 $

20

conversion, 10% of the sodium hydroxide would not have reacted and could be recycled

back.

First order reaction

The order of reaction is important to analyze reaction kinetics. If the order of reaction is

different, the data we got might not agree with the reaction kinetics.

Table 8 TCI of scaled up design Table 9 Summary of annual cost

manufacturing cost

A.Direct production costs

1.raw materials

ethyl acetate (provided) -$

sodium hydroxide 137,381.00$

2.operating labor 105,800.00$

3.Direct supervisory and clerical 47,610.00$

4.utilities

electricity 1,429,632.00$

cooling water 4,000.00$

total 1,433,632.00$

5.maitenance and repair 209,575.81$

6.operating supplies 178,139.44$

7.laboratory charges 63,480.00$

sub-total 2,175,618.25$

B.Fixed charges

1.capital costs

A.local taxes -$

B.insurance 130,984.88$

C.land owned

sub-total 130,984.88$

C.overhead costs 288,925.81$

general expenses

A.administration costs 317,818.39$

B.distribution and selling costs -$

C.research and development 326,342.74$

sub-total 644,161.13$

total annual cost 2,819,779.37$

total processing cost 0.04$

Summary of annual costs along with the total product cost

component $

Direct Cost

Onsite

Purchased Equipment

agitator 49,381.30$

exchanger 65,000.84$

pumps(2) 95,105.99$

drivers(2) 184,061.96$

reactor 20,805.92$

storage stank 109,583.51$

total purchased equipment 523,939.52$

installation 26,196.98$

piping 209,575.81$

electrical 87,323.25$

offsite

building 183,378.83$

service facilities 261,969.76$

total direct cost 1,292,384.15$

indirect cost

engineering 387,715.25$

construction 193,857.62$

contractor's fee 64,619.21$

contingency 78,590.93$

total indirect cost 724,783.01$

fixed capital investment 2,017,167.16$

working capital 605,150.15$

total capital investment 2,622,317.31$

Estimation of total capital investment(TCI)

21

Process flow diagram

Summary and discussion of propagation of error analysis

In conclusion, the estimated total capital investment is about 2.6MM US dollar and total annual

cost to run the plant is 23.3MM US dollar. Based on that, our processing cost is $0.36 per pound

of ethyl acetate (mass of sodium hydroxide used is negligible). Referring to Table 6, if we sell our

product which is ethanol at $3 per kg the first year profit will be about $39M. However, the profit

will not be that high since we estimated everything and errors in our pilot experiment makes this

estimate appear bigger. Nevertheless, it is evident that our scale-up design is potentially profitable

during its first year of operation. Refer to the experiment results, the error for our selected reactor

is acceptable which it is about 3%. It will not affect the scale-up design and estimation of the cost.

Recommendations

Determination of reaction order.

Running experiment under condition of temperature and pressure consistent with expected

operating conditions of industrial use.

22

Comparison with Design Based On Literature Values

By utilizing literature-derived equations to extrapolate data for the temperature parameters used

throughout the experimentation process, the group was able to derive literature-based data. These

data were compared to each reactor for the respective temperature set points for both the reaction

rate constant and conductivity measures. As evidenced by the low percent errors represented in

Tables 3 and 4, it can be concluded that the design values, which were derived from the group’s

experimental data, are consistent with literature values. Furthermore, since the design values are

consistent with literature values, the scaled-up design values are, by extension, reasonable and

consistent with literature values.

23

References - Nadezda Mamedova

1. "Sodium Acetate." Sodium Acetate. National Institute of Health, n.d. Web. 27 Sept.

2015.

2. "CRE -- Chapter One - Industrial Reactors." CRE -- Chapter One - Industial Reactors.

Web. 6 Sept. 2015.

3. K. Das, P. Sahoo, M. Sai Baba, N. Murali and P. Swaminathan, "Kinetic Studies on

Saponification of Ethyl Acetate Using an Innovative Conductivity Monitoring Instrument

with a Pulsating Sensor," Wiley, 2011.

4. Perry, Robert H., Don W. Green, and James O. Maloney. Perry's Chemical Engineers'

Handbook. New York: McGraw-Hill, 1984. Print.

5. "Chemicals A-Z." ICIS. Chemical Marketing Reporter, 28 Aug. 2006. Web. 27 Sept. 2015.

6. CDC:

"International Chemical Safety Cards (ICSC) - Sodium Hydroxide." Centers for Disease

Control and Prevention, 1 July 2014. Web. 28 Sept. 2015.

<http://www.cdc.gov/niosh/ipcsneng/neng0360.html>.

7. Science Lab:

"Ethyl Acetate." Material Safety Data Sheet (MSDS). ScienceLab.com. Web. 28 Sept.

2015. <http://www.sciencelab.com/msds.php?msdsId=9927165>.

8. Thermoscientific:

"Propane (Instrument Grade)." Material Safety Data Sheet (MSDS). Chevron Phillips

Chemical Company, LP. Web. 28 Sept. 2015.

<http://www.thermoscientific.com/content/dam/tfs/LPG/LED/LED

Documents/MSDS/Cold Storage/MSDS-R290-Propane-11-8-05.pdf>.

9. University of Michigan

“Plug Flow Reactors (PFRs).” University of Michigan. Web. 1 Nov. 2015.

<http://www.umich.edu/~elements/5e/asyLearn/bits/pfrfinal/index.htm>.

10. University of Michigan

“Continuous Stirred Tank Reactors.” University of Michigan. Web. 1 Nov. 2015.

<http://www.umich.edu/~elements/5e/asyLearn/bits/cstr/index.htm>.

24

T [C

]C

on

du

ctiv

ity

[mS]

tim

e [

min

]C

on

cen

trat

ion

1 /

CR

eac

ted

XX

[%

]

198.

250

0.05

518

.181

8181

80

0.79

7673

927

79.7

6739

269

178.

091

0.01

8543

026

53.9

2863

152

0.03

6456

974

0.80

7394

249

80.7

3942

49

167.

912

0.01

7408

531

57.4

4309

943

0.03

7591

469

0.81

8329

611

81.8

3296

113

167.

783

0.01

6589

174

60.2

8027

530.

0384

1082

60.

8262

2737

382

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7372

9

167.

654

0.01

5769

817

63.4

1227

511

0.03

9230

183

0.83

4125

135

83.4

1251

346

167.

535

0.01

5013

488

66.6

0677

440.

0399

8651

20.

8414

1537

684

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5376

1

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456

0.01

4509

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68.9

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365

0.04

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0.84

6275

537

84.6

2755

371

157.

367

0.01

3942

021

71.7

2561

261

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979

0.85

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218

85.1

7432

183

147.

298

0.01

3500

829

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6952

669

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171

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859

85.5

9958

591

147.

219

0.01

2996

609

76.9

4314

652

0.04

2003

391

0.86

0856

0286

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6020

2

147.

1510

0.01

2618

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4907

158

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2381

556

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4501

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86.4

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409

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2240

2881

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4802

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5972

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8146

262

86.8

1462

617

147.

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1925

142

83.8

5644

181

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3074

858

0.87

1183

862

87.1

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623

146.

9913

0.01

1610

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86.1

3260

733

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4221

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87.4

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1357

895

88.0

4448

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3642

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6651

543

87.6

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435

146.

9115

0.01

1105

785

90.0

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983

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215

0.87

9081

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87.9

0816

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146.

8716

0.01

0853

675

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8317

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566

94.3

2569

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9843

40.

8839

4178

588

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1785

146.

818

0.01

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483

96.0

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0.04

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517

0.88

5764

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88.5

7643

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146.

7719

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97.8

1480

899

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599

0.88

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88.7

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318

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736

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284

Ru

n 1

: Bat

ch, T

=10

C

25

T [C] Conductivity [mS] time [min] Concentration 1 / C Reacted X X [%]

24 11 0 0.055 18.18181818 0 0.630605892 63.0605892

25 10.2 0.01 0.03184182 31.40524005 0.02315818 0.679207502 67.92075021

26 8.84 1 0.023270085 42.97362851 0.031729915 0.761830239 76.18302394

26 8.07 2 0.018416971 54.29774594 0.036583029 0.808609289 80.86092892

26 7.66 3 0.015832845 63.15984324 0.039167155 0.833517614 83.35176144

26 7.28 4 0.013437801 74.41693577 0.041562199 0.856603379 85.66033793

26 7 5 0.011673032 85.66754227 0.043326968 0.873613943 87.36139428

26 6.77 6 0.010223401 97.81480899 0.044776599 0.887586906 88.75869058

26 6.58 7 0.009025879 110.7925324 0.045974121 0.899129788 89.91297882

26 6.43 8 0.008080467 123.7552211 0.046919533 0.90824259 90.82425901

26 6.3 9 0.00726111 137.7199873 0.04773889 0.916140352 91.61403517

27 6.2 10 0.006630836 150.8105565 0.048369164 0.922215553 92.2215553

27 6.08 11 0.005874506 170.2270789 0.049125494 0.929505795 92.95057945

27 6.03 12 0.005559369 179.8765383 0.049440631 0.932543395 93.25433952

27 5.96 13 0.005118176 195.3820862 0.049881824 0.936796036 93.67960361

27 5.9 14 0.004740012 210.9699424 0.050259988 0.940441157 94.04411568

27 5.85 15 0.004424874 225.9951143 0.050575126 0.943478757 94.34787575

27 5.79 16 0.00404671 247.1143438 0.05095329 0.947123878 94.71238782

27 5.75 17 0.0037946 263.5324015 0.0512054 0.949553959 94.95539587

27 5.71 18 0.00354249 282.2873206 0.05145751 0.951984039 95.19840392

27 5.68 19 0.003353408 298.204133 0.051646592 0.9538066 95.38065996

28 5.64 20 0.003101298 322.4456616 0.051898702 0.95623668 95.62366801

28 5.62 21 0.002975243 336.1070214 0.052024757 0.95745172 95.74517204

28 5.59 22 0.00278616 358.9168769 0.05221384 0.959274281 95.92742808

28 5.57 23 0.002660106 375.9249387 0.052339894 0.960489321 96.0489321

28 5.55 24 0.002534051 394.6251135 0.052465949 0.961704361 96.17043613

28 5.53 25 0.002407996 415.2831399 0.052592004 0.962919402 96.29194015

28 5.51 26 0.002281941 438.2234743 0.052718059 0.964134442 96.41344418

28 5.49 27 0.002155886 463.8464574 0.052844114 0.965349482 96.5349482

28 5.48 28 0.002092858 477.8154221 0.052907142 0.965957002 96.59570022

28 5.46 29 0.001966803 508.4392174 0.053033197 0.967172042 96.71720424

28 5.45 30 0.001903776 525.2718876 0.053096224 0.967779563 96.77795625

28 5.44 31 0.001840749 543.2572632 0.053159251 0.968387083 96.83870827

28 5.43 32 0.001777721 562.5179486 0.053222279 0.968994603 96.89946028

28 5.42 33 0.001714694 583.1945746 0.053285306 0.969602123 96.96021229

29 5.41 34 0.001651666 605.4492378 0.053348334 0.970209643 97.0209643

29 5.4 35 0.001588639 629.4697586 0.053411361 0.970817163 97.08171632

29 5.39 36 0.001525611 655.4749954 0.053474389 0.971424683 97.14246833

29 5.38 37 0.001462584 683.7215315 0.053537416 0.972032203 97.20322034

29 5.38 38 0.001462584 683.7215315 0.053537416 0.972032203 97.20322034

29 5.37 39 0.001399556 714.5121704 0.053600444 0.972639724 97.26397236

29 5.36 40 0.001336529 748.2068331 0.053663471 0.973247244 97.32472437

29 5.36 41 0.001336529 748.2068331 0.053663471 0.973247244 97.32472437

29 5.35 42 0.001273501 785.236693 0.053726499 0.973854764 97.38547638

30 5.35 43 0.001273501 785.236693 0.053726499 0.973854764 97.38547638

30 5.34 44 0.001210474 826.1227253 0.053789526 0.974462284 97.44622839

30 5.35 45 0.001273501 785.236693 0.053726499 0.973854764 97.38547638

Run 1: Batch, T=20C

26


28 9.34 0 0.055 18.18181818 0 0.731454233 73.14542331

25 9.02 1 0.02440458 40.97591589 0.03059542 0.750894877 75.08948771

25 8.69 2 0.022324673 44.79348853 0.032675327 0.770943041 77.09430413

25 8.45 3 0.020812014 48.04916938 0.034187986 0.785523524 78.55235244

25 8.25 4 0.019551465 51.14706219 0.035448535 0.797673927 79.76739269

25 8.11 5 0.018669081 53.56450167 0.036330919 0.806179209 80.61792087

25 7.98 6 0.017849724 56.02327638 0.037150276 0.81407697 81.40769704

25 7.88 7 0.017219449 58.07386747 0.037780551 0.820152172 82.01521716

25 7.79 8 0.016652202 60.05211852 0.038347798 0.825619853 82.56198528

25 7.73 9 0.016274037 61.44756793 0.038725963 0.829264974 82.92649735

25 7.67 10 0.015895872 62.90941316 0.039104128 0.832910094 83.29100943

25 7.62 11 0.015580735 64.18182443 0.039419265 0.835947695 83.59476949

25 7.58 12 0.015328625 65.23742267 0.039671375 0.838377775 83.83777755

25 7.55 13 0.015139543 66.05219281 0.039860457 0.840200336 84.02003358

25 7.52 14 0.01495046 66.88757217 0.04004954 0.842022896 84.20228962

25 7.5 15 0.014824405 67.45633074 0.040175595 0.843237936 84.32379365

25 7.47 16 0.014635323 68.32783892 0.040364677 0.845060497 84.50604969

25 7.44 17 0.014446241 69.2221609 0.040553759 0.846883057 84.68830572

25 7.41 18 0.014257158 70.14020437 0.040742842 0.848705618 84.87056176

25 7.38 19 0.014068076 71.08292582 0.040931924 0.850528178 85.0528178

25 7.35 20 0.013878994 72.05133387 0.041121006 0.852350738 85.23507384

25 7.32 21 0.013689911 73.04649284 0.041310089 0.854173299 85.41732988

25 7.29 22 0.013500829 74.06952669 0.041499171 0.855995859 85.59958591

25 7.26 23 0.013311746 75.12162325 0.041688254 0.85781842 85.78184195

25 7.23 24 0.013122664 76.2040388 0.041877336 0.85964098 85.96409799

25 7.2 25 0.012933582 77.31810307 0.042066418 0.86146354 86.14635403

25 7.17 26 0.012744499 78.46522473 0.042255501 0.863286101 86.32861007

25 7.14 27 0.012555417 79.6468973 0.042444583 0.865108661 86.5108661

25 7.11 28 0.012366335 80.86470563 0.042633665 0.866931221 86.69312214

25 7.08 29 0.012177252 82.12033301 0.042822748 0.868753782 86.87537818

25 7.05 30 0.01198817 83.41556895 0.04301183 0.870576342 87.05763422

25 7.02 31 0.011799087 84.75231764 0.043200913 0.872398903 87.23989026

25 6.99 32 0.011610005 86.13260733 0.043389995 0.874221463 87.4221463

25 6.96 33 0.011420923 87.55860059 0.043579077 0.876044023 87.60440233

25 6.93 34 0.01123184 89.03260562 0.04376816 0.877866584 87.78665837

25 6.9 35 0.011042758 90.55708868 0.043957242 0.879689144 87.96891441

25 6.87 36 0.010853675 92.13468792 0.044146325 0.881511704 88.15117045

25 6.84 37 0.010664593 93.76822857 0.044335407 0.883334265 88.33342649

25 6.81 38 0.010475511 95.46073987 0.044524489 0.885156825 88.51568252

25 6.78 39 0.010286428 97.21547374 0.044713572 0.886979386 88.69793856

25 6.75 40 0.010097346 99.03592573 0.044902654 0.888801946 88.8801946

25 6.72 41 0.009908264 100.9258582 0.045091736 0.890624506 89.06245064

25 6.69 42 0.009719181 102.8893263 0.045280819 0.892447067 89.24470668

25 6.66 43 0.009530099 104.9307069 0.045469901 0.894269627 89.42696272

25 6.63 44 0.009341016 107.0547314 0.045658984 0.896092188 89.60921875

25 6.6 45 0.009151934 109.2665223 0.045848066 0.897914748 89.79147479

25 6.57 46 0.008962852 111.571634 0.046037148 0.899737308 89.97373083

25 6.54 47 0.008773769 113.9761001 0.046226231 0.901559869 90.15598687

25 6.51 48 0.008584687 116.4864855 0.046415313 0.903382429 90.33824291

25 6.48 49 0.008395604 119.1099467 0.046604396 0.905204989 90.52049894

25 6.45 50 0.008206522 121.8542995 0.046793478 0.90702755 90.70275498

25 6.42 51 0.00801744 124.7280974 0.04698256 0.90885011 90.88501102

25 6.39 52 0.007828357 127.74072 0.047171643 0.910672671 91.06726706

25 6.36 53 0.007639275 130.9024755 0.047360725 0.912495231 91.2495231

25 6.33 54 0.007450193 134.2247188 0.047549807 0.914317791 91.43177913

25 6.3 55 0.00726111 137.7199873 0.04773889 0.916140352 91.61403517

Run 1: Batch, T=25C

27


19 22.3 0 0.055 18.18181818 0 -0.080843961 -8.08439612

17 19.6 1 0.091087633 10.97843871 -0.036087633 0.087062727 8.706272745

16 17.4 2 0.077221592 12.94974598 -0.022221592 0.223875585 22.38755849

15 15.4 3 0.0646161 15.4760192 -0.0096161 0.34825091 34.82509098

15 13.7 4 0.053901431 18.55238302 0.001098569 0.453969936 45.3969936

15 12.1 5 0.043817038 22.82217272 0.011182962 0.553470196 55.34701959

15 10.7 6 0.034993193 28.57698636 0.020006807 0.640532923 64.05329234

15 9.5 7 0.027429898 36.45657052 0.027570102 0.715158118 71.51581184

15 8.29 8 0.019803575 50.49593339 0.035196425 0.79040519 79.04051899

15 7.36 9 0.013942021 71.72561261 0.041057979 0.848239716 84.8239716

15 6.57 10 0.008962852 111.571634 0.046037148 0.897367969 89.73679694

15 5.87 11 0.004550929 219.7353387 0.050449071 0.940899333 94.08993331

15 5.28 12 0.000832309 1201.476657 0.054167691 0.977590054 97.7590054

Run 1 CSTR, T_Cooler = 10 C Method 1


21 0.18 0 0.055 18.18181818 0 -0.125901502 -12.59015023

20 0.37 0.5 -0.030114174 -33.20695404 0.085114174 -0.080767001 -8.076700145

19 0.89 1 -0.026836746 -37.26234134 0.081836746 0.042759001 4.275900077

18 1.77 1.5 -0.02129033 -46.96968127 0.07629033 0.251803005 25.18030045

17 2.57 2 -0.016248133 -61.54553336 0.071248133 0.441843008 44.1843008

17 3.26 2.5 -0.011899238 -84.03899478 0.066899238 0.605752511 60.57525109

16 3.87 3 -0.008054563 -124.1532304 0.063054563 0.750658014 75.06580135

16 4.44 3.5 -0.004461998 -224.1148677 0.059461998 0.886061516 88.60615159

16 4.94 4 -0.001310625 -762.9950227 0.056310625 1.004836518 100.4836518

16 5.4 4.5 0.001588639 629.4697586 0.053411361 1.11410952 111.410952

16 5.82 5 0.004235792 236.0833563 0.050764208 1.213880522 121.3880522

15 6.21 5.5 0.006693863 149.3905683 0.048306137 1.306525024 130.6525024

15 6.57 6 0.008962852 111.571634 0.046037148 1.392043025 139.2043025

15 6.9 6.5 0.011042758 90.55708868 0.043957242 1.470434526 147.0434526

15 7.21 7 0.012996609 76.94314652 0.042003391 1.544075028 154.4075028


28


24 18.52 0 0.055 18.18181818 0 0.154225403 15.42254029

23 17.62 0.5 0.078608196 12.72131978 -0.023608196 0.210194299 21.01942991

23 16.89 1 0.074007191 13.51220038 -0.019007191 0.255591293 25.55912927

22 16.03 1.5 0.06858683 14.58005864 -0.01358683 0.309072682 30.90726825

22 15.23 2 0.063544633 15.73697029 -0.008544633 0.358822812 35.88228124

22 14.46 2.5 0.058691518 17.03823699 -0.003691518 0.406707313 40.67073125

22 13.79 3 0.054468679 18.35917499 0.000531321 0.448373046 44.83730464

22 13.16 3.5 0.050497948 19.80278468 0.004502052 0.487551274 48.75512737

22 12.55 4 0.046653273 21.4347232 0.008346727 0.525485748 52.54857478

21 12 4.5 0.043186763 23.15524321 0.011813237 0.559688962 55.96889622

21 11.47 5 0.039846308 25.0964283 0.015153692 0.592648423 59.26484233

21 10.97 5.5 0.036694934 27.25171782 0.018305066 0.623742255 62.37422545

21 10.49 6 0.033669616 29.70036812 0.021330384 0.653592333 65.35923325

21 10.04 6.5 0.028186227 35.47832037 0.026813773 0.681576781 68.15767806

21 9.62 7 0.028186227 35.47832037 0.026813773 0.707695599 70.76955989

21 9.26 7.5 0.025917239 38.58435746 0.029082761 0.730083157 73.00831573

21 8.91 8 0.023711278 42.17402457 0.031288722 0.751848839 75.18488392

21 8.54 8.5 0.021379261 46.77430053 0.033620739 0.774858274 77.48582743

21 8.24 9 0.019488438 51.31247665 0.035511562 0.793514573 79.35145731

21 7.94 9.5 0.017597614 56.82588631 0.037402386 0.812170872 81.21708718

21 7.64 10 0.01570679 63.66673288 0.03929321 0.830827171 83.08271705

21 7.38 10.5 0.014068076 71.08292582 0.040931924 0.846995963 84.69959628

21 7.13 11 0.012492389 80.0487373 0.042507611 0.862542878 86.25428784

21 6.89 11.5 0.01097973 91.07691778 0.04402027 0.877467917 87.74679174

21 6.67 12 0.009593126 104.2413053 0.045406874 0.891149203 89.11492031

21 6.45 12.5 0.008206522 121.8542995 0.046793478 0.904830489 90.48304889

21 6.24 13 0.006882945 145.2866385 0.048117055 0.917889898 91.7889898

21 6.05 13.5 0.005685424 175.8883882 0.049314576 0.929705554 92.97055539

21 5.85 14 0.004424874 225.9951143 0.050575126 0.942143086 94.21430863


29


22 17.6 0 0.055 18.18181818 0 0.211438052 21.14380524

22 17.1 0.5 0.075330768 13.27478831 -0.020330768 0.242531884 24.25318836

22 16.3 1 0.070288571 14.22706398 -0.015288571 0.292282014 29.22820136

22 15.5 1.5 0.065246374 15.32652213 -0.010246374 0.342032144 34.20321436

22 14.8 2 0.060834452 16.43805387 -0.005834452 0.385563507 38.55635073

22 14.2 2.5 0.057052804 17.52762218 -0.002052804 0.422876105 42.28761048

22 13.6 3 0.053271157 18.77188447 0.001728843 0.460188702 46.01887022

21 13.1 3.5 0.050119784 19.95220103 0.004880216 0.491282533 49.12825335

21 12.6 4 0.046968411 21.29090566 0.008031589 0.522376365 52.23763647

21 12.2 4.5 0.044447312 22.4985483 0.010552688 0.54725143 54.72514297

21 11.7 5 0.041295939 24.21545607 0.013704061 0.578345261 57.83452609

21 11.3 5.5 0.038774841 25.78991898 0.016225159 0.603220326 60.32203259

21 10.9 6 0.036253742 27.58335934 0.018746258 0.628095391 62.80953909

21 10.6 6.5 0.03184182 31.40524005 0.02315818 0.64675169 64.67516896

21 10.2 7 0.03184182 31.40524005 0.02315818 0.671626755 67.16267546

21 9.9 7.5 0.029950996 33.38787114 0.025049004 0.690283053 69.02830534

21 9.6 8 0.028060172 35.63769989 0.026939828 0.708939352 70.89393521

21 9.3 8.5 0.026169348 38.2126441 0.028830652 0.727595651 72.75956508

21 9 9 0.024278525 41.18866423 0.030721475 0.74625195 74.62519496

21 8.7 9.5 0.022387701 44.66738268 0.032612299 0.764908248 76.49082483

21 8.4 10 0.020496877 48.78792025 0.034503123 0.783564547 78.35645471

21 8.1 10.5 0.018606053 53.74594986 0.036393947 0.802220846 80.22208458

21 7.9 11 0.017345504 57.65182745 0.037654496 0.814658378 81.46583783

21 7.58 11.5 0.015328625 65.23742267 0.039671375 0.83455843 83.45584303

21 7.35 12 0.013878994 72.05133387 0.041121006 0.848861593 84.88615927

21 7.19 12.5 0.012870554 77.69673197 0.042129446 0.858811619 85.88116186

21 6.93 13 0.01123184 89.03260562 0.04376816 0.874980411 87.49804109

21 6.75 13.5 0.010097346 99.03592573 0.044902654 0.88617419 88.61741901

21 6.55 14 0.008836797 113.1631783 0.046163203 0.898611723 89.86117226

21 6.37 14.5 0.007702302 129.8313087 0.047297698 0.909805502 90.98055019

21 6.19 15 0.006567808 152.2577983 0.048432192 0.920999281 92.09992811


30


22 0.12 0 0.055 18.18181818 0 -0.140154503 -14.01545025

22 0.28 0.5 -0.030681421 -32.5930141 0.085681421 -0.102146502 -10.21465018

22 0.73 1 -0.027845186 -35.91285088 0.082845186 0.004751 0.475100009

22 1.63 1.5 -0.022172714 -45.10047769 0.077172714 0.218546004 21.85460039

22 2.42 2 -0.017193545 -58.16136322 0.072193545 0.406210507 40.62105073

22 3.12 2.5 -0.012781622 -78.23732892 0.067781622 0.57249551 57.24955103

22 3.76 3 -0.008747865 -114.3136075 0.063747865 0.724527513 72.4527513

22 4.29 3.5 -0.00540741 -184.931435 0.06040741 0.850429015 85.04290153

22 4.76 4 -0.002445119 -408.9780768 0.057445119 0.962077517 96.20775173

22 5.18 4.5 0.000202035 4949.649041 0.054797965 1.061848519 106.1848519

22 5.57 5 0.002660106 375.9249387 0.052339894 1.154493021 115.4493021

22 5.96 5.5 0.005118176 195.3820862 0.049881824 1.247137522 124.7137522

21 6.26 6 0.007009 142.6736987 0.047991 1.318402524 131.8402524

22 6.57 6.5 0.008962852 111.571634 0.046037148 1.392043025 139.2043025

22 6.87 7 0.010853675 92.13468792 0.044146325 1.463308026 146.3308026



25 21.7 0 0.055 18.18181818 0 -0.043531364 -4.353136373

25 20.4 0.5 0.09612983 10.40259821 -0.04112983 0.037312597 3.731259748

25 19.4 1 0.089827084 11.13249984 -0.034827084 0.09950026 9.950025994

25 17.4 1.5 0.077221592 12.94974598 -0.022221592 0.223875585 22.38755849

25 16.3 2 0.070288571 14.22706398 -0.015288571 0.292282014 29.22820136

25 15 2.5 0.062095001 16.10435589 -0.007095001 0.373125975 37.31259748

25 13.7 3 0.053901431 18.55238302 0.001098569 0.453969936 45.3969936

25 12.6 3.5 0.046968411 21.29090566 0.008031589 0.522376365 52.23763647

25 11.5 4 0.04003539 24.97790085 0.01496461 0.590782793 59.07827934

25 10.6 4.5 0.034362918 29.10113709 0.020637082 0.64675169 64.67516896

25 9.7 5 0.028690447 34.85480733 0.026309553 0.702720586 70.27205859

25 8.8 5.5 0.023017975 43.44430738 0.031982025 0.758689482 75.86894821

25 8.1 6 0.018606053 53.74594986 0.036393947 0.802220846 80.22208458

25 7.46 6.5 0.014572296 68.62336752 0.040427704 0.84202095 84.20209498

25 6.91 7 0.011105785 90.04315983 0.043894215 0.876224164 87.62241641

25 6.4 7.5 0.007891385 126.7204715 0.047108615 0.907939872 90.7939872

25 5.93 8 0.004929094 202.8770355 0.050070906 0.937168073 93.71680734

25 5.52 8.5 0.002344968 426.4450148 0.052655032 0.962665015 96.2665015

25 5.15 9 1.29521E-05 77207.29927 0.054987048 0.98567445 98.56744501


31


26 0.23 0 0.055 18.18181818 0 -0.114024002 -11.40240021

26 0.55 0.5 -0.02897968 -34.50693734 0.08397968 -0.038008001 -3.800800068

26 0.9 1 -0.026773719 -37.35005985 0.081773719 0.045134501 4.513450081

26 1.25 1.5 -0.024567758 -40.70375544 0.079567758 0.128277002 12.82770023

26 1.56 2 -0.022613906 -44.22057752 0.077613906 0.201917504 20.19175036

26 2.06 2.5 -0.019462533 -51.38077265 0.074462533 0.320692506 32.06925058

26 2.72 3 -0.015302721 -65.3478559 0.070302721 0.477475509 47.74755086

26 3.26 3.5 -0.011899238 -84.03899478 0.066899238 0.605752511 60.57525109

26 3.67 4 -0.009315112 -107.3524387 0.064315112 0.703148013 70.31480127

26 4.04 4.5 -0.006983096 -143.2029568 0.061983096 0.791041514 79.10415142

26 4.31 5 -0.005281355 -189.3453628 0.060281355 0.855180015 85.51800154

25 4.57 5.5 -0.003642641 -274.5261227 0.058642641 0.916943017 91.69430165

25 4.81 6 -0.002129982 -469.4876385 0.057129982 0.973955018 97.39550175

25 5.02 6.5 -0.000806405 -1240.071906 0.055806405 1.023840518 102.3840518

25 5.24 7 0.000580199 1723.545706 0.054419801 1.076101519 107.6101519

25 5.42 7.5 0.001714694 583.1945746 0.053285306 1.11886052 111.886052

25 5.6 8 0.002849188 350.9772041 0.052150812 1.161619521 116.1619521

25 5.77 8.5 0.003920655 255.0594401 0.051079345 1.202003022 120.2003022

25 5.93 9 0.004929094 202.8770355 0.050070906 1.240011022 124.0011022

25 6.09 9.5 0.005937533 168.4201029 0.049062467 1.278019023 127.8019023

25 6.22 10 0.00675689 147.997071 0.04824311 1.308900524 130.8900524

25 6.37 10.5 0.007702302 129.8313087 0.047297698 1.344533024 134.4533024

25 6.51 11 0.008584687 116.4864855 0.046415313 1.377790025 137.7790025

25 6.64 11.5 0.009404044 106.3372329 0.045595956 1.408671525 140.8671525

25 6.77 12 0.010223401 97.81480899 0.044776599 1.439553026 143.9553026


32

Experimental Results Hand Calculations – Eric Henderson

37

Scale Up Hand Calculations - Xiaorong Zhang

38

Calculation of equipment cost:

COM (using CAPCOST)

equip s a b n C C (2014)

agitator 40 4300 1920 0.8 41,023.94$ 49,381.30$

exchanger 500 10000 88 1 54,000.00$ 65,000.84$

pumps(2) 250 3300 48 1.2 79,010.12$ 95,105.99$

drivers(2) 1000 920 600 0.7 152,911.05$ 184,061.96$

reactor 0.11 14000 15400 0.7 17,284.70$ 20,805.92$

tank 100 53000 2400 0.6 91,037.44$ 109,583.51$

CEPCI 478.6 435,267.24$ 523,939.52$

CEPCI(2014) 576.1

Peters et al., Plant Design for Chemical Engineers(2008)

table6.6

C=a+b*s^n

Economic Options capcost

Cost of Land 1,250,000$

Taxation Rate 42%

Annual Interest Rate 10%

Salvage Value 0

Working Capital 1,860,000$

FCIL 523,940$

Total Module Factor 1.18

Grass Roots Factor 0.50

Economic Information Calculated From Given Information

Revenue From Sales 39,860,416$

CRM (Raw Materials Costs) 17,929,535$

CUT (Cost of Utilities) 1,429,632$

CWT (Waste Treatment Costs) 1,418,147$

COL (Cost of Operating Labor) 105,800$

Factors Used in Calculation of Cost of Manufacturing (COMd)

Comd = 0.18*FCIL + 2.76*COL + 1.23*(CUT + CWT + CRM)

Multiplying factor for FCIL 0.18

Multiplying factor for COL 2.76

Facotrs for CUT, CWT, and CRM 1.23

COMd 25,942,414$