THEORY

Objective: 1. To install and converge a conversion reactor 2. To simulate a process involving reaction and separation 3. To compare the result between non-recycle and recycle process Process 1: One of the routes to produce ethyl chloride is by the gas phase reaction of HCl with ethylene over the copper chloride catalyst supported on silica: C2H4 + HCl C2H5Cl In this process, the feed stream is composed of 50 mol% HCl, 48 mol% C2H4 and 2 mol% N2 at 100 kmol/hr at 25oC and 1 atm. The reaction only achieved 90% conversion of HCl. Outlet flow rate from the reactor is 56.8 kmol/hr with the mole fraction are listed below:HYDRO-01 ETHYL-01 ETHYL-02 NITRO-01 0.1197 0.0845 0.7606 0.0352

The separation process is operated at atmospheric pressure and pressure drop along the process is ignored. The separator temperature is -93.8oC. Bottom product at the separation process is totally pure ethyl chloride with the amount of 43.2 kmol/hr. The purity at the bottom product must achieve at least 80%. Process 1 Recycle: Total vapour outlet from the separator is 13.6 kmol/hr with the mole fraction are as listed below:HYDRO-01 ETHYL-01 NITRO-01 0.5000 0.3529 0.1471

To prevent the accumulation of inert gas in the system, 10 kmol/hr inert is withdrawn in a purge stream. The balance from the purge being recycles to the feed stream,with the split ration of 0.9. Hint: 1. Use Peng-Robinson Equation of state fluid package (SI unit) 2. Assume no pressure drop in all equipments

Chloroethane or monochloroethane, commonly known by the name ethyl chloride is a chemical compound with chemical formula C2H5Cl, once widely used in producing tetraehyllead, a gasoline additive. It is a colorless, flammable gas or refrigerated liquid with a faintly sweet odor. Ethyl chloride is produced by hydrochlorination of ethylene: C2H4 + HCl C2H5Cl Like other chlorinated hydrocarbons, ethyl chloride has been used as a refrigerant, an aerosol spray propellant, an anesthetic, and a blowing agent for foam packaging. For a time it was used as a promoter chemical in the aluminium chloride catalyzed process to produce ethylbenzene, the precursor for styrene monomer. At present though, it is not widely used in any of these roles. The only remaining industrially important use of ethyl chloride is in treating cellulose to make ethylcellulose, at thickening agent and binder in paint, cosmetics and similar products. In reaction process, there is generally some unreacted feed material found in the product. In order to reduce cost and increase efficiency, the unreacted material is often separated and reused in a recycle loop.

Recycle may also be used to recover an expensive catalyst, maintain feed concentration below certain levels, or in totally closed loop to pump a cooling or heating fluid. When a process uses a recycle loop, there can often be a buildup of some undesired material within the system. By using a purge, a fraction of the recycle loop material is removed. This purge fraction is generally only a few percent of the recycle flow rate.

PROCEDURES
1. New run started by selecting New from the File tab and Chemicals with English Unit is chosen in the Simulations window. 2. The Process Flow Diagram is constructed consists of streams, heat exchangers, reactor, splitter and flash vessel. 3. From the Data tab, Properties is selected. Peng-Robinson Equation of State Fluid is chosen from the Properties window.

4. The required information is filled in the Data window, such as feed molar flow rate, mole fraction, temperature for the streams and pressure for certain equipments. The information is taken from the lab manual.

5. After that, the Start button is clicked to calculate the results.

6. Result Summary is selected from the Data tab. From the Result Summary window, Streams tab is chosen to view the stream table.

PROCESS FLOW DIAGRAM

4-OUT

SEPARATO REACTOR 1-IN

2-OUT

COOLER

3-IN

5-OUT

Figure 1 Process Flow Diagram before Recycle Process

SPLITTER 6-OUT

4-OUT SEPARATO 1-IN REACTOR

2-OUT

COOLER

3-IN

7-OUT

5-OUT

Figure 2 Process Flow Diagram after Recycle Process

WORKBOOK
Table 1 Stream Table before Recycle

He at a nd M at eria l B a la nce Ta bl e Stre a m ID From To Pha s e Subs tre a m: M IXED M ole Flow HYDR O-01 E THYL-01 NITR O-01 E THYL-02 Tot al Flow Tot al Flow Tot al Flow Tempe ra ture Pre ss ure Va por Frac Liqui d Frac Sol id Fra c Ent ha lpy Ent ha lpy Ent ha lpy Ent ropy Ent ropy De ns it y De ns it y Average M W Liq Vol 60F c um/ hr kca l/ mol kca l/ kg Gc al /hr c al /mol-K c al /gm-K mol/c c kg/ cum kmol /hr kg/ hr c um/ hr C bar kmol /hr 50.00000 48.00000 2. 000000 0.0 100.0000 3225. 639 2431. 714 25.00000 1. 013250 1. 000000 0.0 0.0 -5. 014091 -155.4449 -.5014091 -3. 406904 -.1056195 4.11233E-5 1. 326488 32.25639 6. 851162 5. 000000 3. 000000 2. 000000 45.00000 55.00000 3225. 639 1318. 751 25.00000 1. 013250 1. 000000 0.0 0.0 -23.29701 -397.2346 -1. 281336 -33.21477 -.5663411 4.17061E-5 2. 445980 58.64799 3. 914039 5. 000000 3. 000000 2. 000000 45.00000 55.00000 3225. 639 37.35168 -93.80000 1. 013250 .0426597 .9573403 0.0 -30.77889 -524.8072 -1. 692839 -62.51688 -1. 065968 1.47249E-3 86.35862 58.64799 3. 914039 .1298263 .2871723 1. 926637 2.64993E-3 2. 346286 66.93258 34.31102 -93.80000 1. 013250 1. 000000 0.0 0.0 -.5796641 -20.31981 -1.3601E-3 -3. 999982 -.1402172 6.83829E-5 1. 950760 28.52704 .1346599 4. 870174 2. 712828 .0733629 44.99735 52.65371 3158. 707 3. 040654 -93.80000 1. 013250 0.0 1. 000000 0.0 -32.12458 -535.4972 -1. 691479 -65.12444 -1. 085585 .0173165 1038. 825 59.99020 3. 779379 R EAC T OR VAPOR 1-IN 2-OUT R EAC T OR C OOLE R VAPOR 3-IN C OOLE R SE PAR ATO M IXE D VAPOR LIQUID 4-OUT SE PAR ATO 5-OUT SE PAR ATO

Table 2 Stream Table after Recycle

He at a nd M at eria l B a la nce Ta bl e Stre a m ID From To Pha s e Subs tre a m: M IXED M ole Flow kmol /hr HYDR O-01 E THYL-01 NITR O-01 E THYL-02 Tot al Flow Tot al Flow Tot al Flow Tempe ra ture Pre ss ure Va por Frac Liqui d Frac Sol id Fra c Ent ha lpy Ent ha lpy Ent ha lpy Ent ropy Ent ropy De ns it y De ns it y Average M W Liq Vol 60F kca l/ mol kca l/ kg Gc al /hr c al /mol-K c al /gm-K mol/c c kg/ cum c um/ hr kmol /hr kg/ hr c um/ hr C bar 50.00000 48.00000 2. 000000 0.0 100.0000 3225. 639 2431. 714 25.00000 1. 013250 1. 000000 0.0 0.0 -5. 014091 -155.4449 -.5014091 -3. 406904 -.1056195 4.11233E-5 1. 326488 32.25639 6. 851162 5. 093643 3. 962439 19.31517 45.86618 74.23743 3796. 993 1792. 696 25.00000 1. 013250 1. 000000 0.0 0.0 -17.43535 -340.8897 -1. 294356 -24.26178 -.4743575 5. 093643 3. 962439 19.31517 45.86618 74.23743 3796. 993 329.6725 -93.74924 1. 013250 .3006208 .6993792 0.0 -23.20927 -453.7793 -1. 722997 -47.63614 -.9313646 1. 040348 2. 005569 19.23953 .0259844 22.31143 634.8381 326.4624 -93.80000 1. 013250 1. 000000 0.0 0.0 -.7876915 -27.68348 -.0175745 -3. 754238 -.1319430 6.83430E-5 1. 944598 28.45349 1. 257938 4. 053294 1. 956870 .1040348 .2005569 .9363135 1. 805012 17.31558 .0233860 20.08029 571.3543 293.8162 -93.80000 1. 013250 1. 000000 0.0 0.0 -.7876915 -27.68348 -.0158170 -3. 754238 -.1319430 6.83430E-5 1. 944598 28.45349 1. 132144 1-IN 2-OUT 3-IN R EAC T OR C OOLE R 4-OUT 5-OUT 6-OUT SE PAR ATO SE PAR ATO SPLITTE R LIQUID VAPOR 7-OUT SPLITTE R R EAC T OR VAPOR

R EAC T OR C OOLE R VAPOR VAPOR

SE PAR ATO SPLITTE R M IXE D VAPOR

.0756370 1. 923953 45.84019 2.59845E-3 51.92600 3162. 155 3. 031099 -93.80000 1. 013250 0.0 1. 000000 0.0 -32.84490 -539.3487 -1. 705504 -66.50001 -1. 092002 2. 231143 63.48381 32.64624 -93.80000 1. 013250 1. 000000 0.0 0.0 -.7876915 -27.68348 -1.7575E-3 -3. 754238 -.1319430

4.14111E-5 2.25185E-4 2. 118035 11.51747 51.14661 4. 991178 51.14661 4. 991178

.0171310 6.83430E-5 1043. 237 1. 944598 60.89733 3. 733240 28.45349 .1257938

QUESTIONS
1. What are the mole fractions of each component at the effluent of the catalytic reactor before and after recycle? Component HCl C2H4 N2 C2H5Cl Before recycle 0.0909 0.0545 0.0364 0.8182 After recycle 0.0686 0.0534 0.2602 0.6178

2. What is other equipment that can replace flash separator to get 100% of ethyl chloride? Distillation column

3. What is the flow rate of the recycle stream unit in kgmole/hr? 20.08029 kgmole/hr

4. What is the flow rate of the final product after recycling? 51.9260 kgmole/hr