Mentor: Dennis O’ Brien CHE 397 Group Charlie Priya Chetty, Scott Morgan, Brian Mottel, Daniyal Qamar, Sukhjinder Singh Mentor: Dennis O’ Brien Dr. Jeffery Perl

BLOCK FLOW DIAGRAM HX Reactor Flash Distillation I Distillation II Hot Feed Recycle Stream MS Compressor HX Splitter Reactor Condenser Flash Water Cold Syngas Crude Methanol Grade AA Methanol Low Key impurities Distillation I Distillation II Higher Alcohols

Schematic Flow Diagram

MATERIAL AND ENERGY BALANCES REACTOR

Material and Energy Balance Material Balance Reactor Component Mole Flow Composition In Feed to Reactor (lbmol/hr) Purge (lbmol/hr) Recycle (lbmol/hr) Product Out (lbmol/hr) M Tons per day CO lbmol/hr .32 7675.84 187.434 7300.97116 H2 .66 15831.42 253.426 75641.534 CO2 .02 479.74 462.976 4546.87986 CH3OH 7488.406 2608.653 H2O 181.2046 35.50739

Material and Energy Balance Energy Balance Reactor Component Temperature (F) in Pressure (psi) in Enthalpy (Btu/lbmol) in Temp(F) out Enthalpy (Btu/lbmol) out CO 482 1200 2.57190E+08 489.23 2.616E+08 H2 1.5378E+09 1.56E+09 CO2 1.19E+08 1.215E+08 CH3OH 2.34806E+08 H2O 5.78894E+06 Reaction 1 288745426.9 Reaction 2 1113130.387 Total 2.2E+09 2.18E+09

HAND CALCULATIONS AND DATA REACTOR

Reactor Material Balance Assumptions: 100% separation of all feed gases (CO, H2, CO2) and products (CH3OH, H2O) Purge Concentrations are controllable for now No Nitrogen or Water in feed syngas Other side reactions ignored Pressure effects on Cp

Hand Calculations Reactor Reaction 1: CO +H2 ↔ CH3OH ΔHrxn = -38559 Btu/lbmol Reaction 2: CO2 +3H2 ↔ CH3OH + H20 ΔHrxn = -21324.1 Btu/lbmol Reaction 1 Conv = 0.5 Reaction 2 Conv = .04 Material Balance: COout = COfeed + COrec– .5(COfeed + COrec) – COpurge CO2out = (CO2 feed + CO2rec) – 0.04 (CO2 feed + CO2rec) – CO2 purge CH3OHout = .5(COout + COfeed) + .04(CO2out + CO2 feed) Energy Balance Enthalpy in (BTU) : H = Δ Href + ∫Cpdt for each component Where Cp was used for gases: Cp = A + BT + CT2 +DT3 Enthalpy of reaction = .5(ΔHrxn1)COin + .04(ΔHrxn2)CO2in

Data Reactor 100 + Component IN (lbmol/hr) Reaction 1 2 3 4 5 6 7 CO 7675.84 3837.92 5569.445582 6435.208373 6868.089769 7084.53047 7192.751 7246.86099 7300.971 H2 15831.42 8098.0112 12049.41022 14271.78538 15626.38606 16546.0937 17247.35 17838.37211 75641.53 CO2 479.74 460.5504 439.7027721 456.4667602 473.2307484 489.994736 506.7587 523.5227127 4546.88 CH3OH 3857.1096 5794.491616 6659.420502 7055.524187 7271.96488 7380.185 7434.295408 7488.406 H2O 19.1896 18.422016 17.58811088 18.25867041 18.9292299 19.59979 20.27034898 181.2046 Enthalpies In Btu/lbmol Flows In (lbmol/hr) Total In (Btu) CO 1.72E+04 14976.81116 2.57190E+08 H2 1.68E+04 91472.95398 1.53777E+09 CO2 2.37E+04 5026.619862 1.19327E+08 CH3OH 3.08E+04 0.00000E+00 H20 3.13E+04 1.20E+05 1.11E+05 1.91428E+09 Purge (lbmol/hr) CO 187.4344 H2 253.4261 CO2 462.976

MATERIAL AND ENERGY BALANCES DISTILLATION COLUMN

Material Balance Material Balance Distillation Column Component Feed Composition Amount in feed (LB-MOL/Hr) Distillate Composition Amount in Distillate (LB-Mol/Hr) Bottoms Composition Amount in Bottoms (LB-Mol/Hr) Methanol 0.9764 7488.405 0.995 7450.963 0.172 37.442 Water 0.0236 181.205 0.005 0.906 0.828 180.299 Total 1.00 7669.61 7451.87 217.74

Energy Balance

HAND CALCULATIONS AND DATA DISTILLATION COLUMN

Distillation Column Material Balance Assumptions 7669.62 lb-Moles/Hr of Methanol/H20 in feed Feed composition 97.6% Methanol, 2.4% H20 Feed Pressure is 14.7psia 99.5% Methanol in Distillate

Hand Calculations Distillation Column Material Balance F = B + D Fz = BxB + DxD Energy Balance Fhf + QC + QR = DhD +BhB Q = mCPΔT

MATERIAL AND ENERGY BALANCE HEAT EXCHANGER

MATERIAL BALANCE AND DATA for HEAT EXCHANGER Crude In Temperature (F) Flow-Rate lbmol/hr (in/out) Temperature Out (F) MeOH 515 31.22 482 Water .7554 Syngas In Temperature (F) Flow-Rate lbmol/hr (in/out) Temperature Out (F) H2 482 6.6 505 CO 3.2 CO2 2

Hand Calculations HX Cp Values (Btu/lbmol°F Methanol 267 H2O 271 Q = Σ miCpiΔT T(Syngas in) = 482 ˚F T(Crude MeOH in) = 515 ˚F Crude MeOH in = 31.22 lbmol/hr Water in = .7554 lbmol/hr Syngas Compositions ( H2 = 6.6, CO = 3.2, CO2 = 2) Q = 31.22lbmol/hr(267)(482-515) +.7554lbmol/hr(271)(482-515) Q = -281834.9622 Btu/hr = 6.6(122)(T-482) + 3.2(126)(T-482) + 2(188)(T-482) = 8052T - 388106.4 + 403.2T – 194342.4 + 37.6T – 18123.2 281834.96 Btu/hr = 100 (125) (T-482) T(Syngas out) = 505 ˚F

ECONOMIC ANALYSIS

Fixed Capital Cost Table 1 Fixed Capital Cost Table 1.1: Estimate costs of specific units in the process flow diagram Unit Type Description Base Cost/unit No. of units Total Cost $ Pumps P-100 Pump 17,237,109 3 51,711,327 Compressors CMP-200 Compressor 46,311,255 1 Reactors R-300 MSR 16,392,569 HEX C-200 Heat Exchanger 8,948,014 C-300 182,177 Separators U-200 Flash unit 698,198 2 1,396,396 D-100 Distillation tower 581,086 1,162,172 Storage Tanks Floating roof Storage Tank 430,558 7 3,013,906 Total $169,507,011 Amirkhas, Elton , and Raj Bedi. "METHANOL PRODUCTION IN TRINIDAD & TOBAGO." Phase II Design Report 07062006. n. pag. Web. 15 Feb 2011.

Table 1.2: Estimate plant costs and operations Operating Cost Table 1.2: Estimate plant costs and operations Cost Factor Annual Cost Feed stocks (raw materials) Syngas Feed water make-up Total $ 6,102 $ 364,001 $ 370,103 Utilities Electricity Cooling water, 90F, 65psig (CW) Chilled cooling water, 60F $7,634,000 $7,769,894 $90,009,785 $105,413,679 Operations (labor-related) Direct wages and benefits Direct salaries and benefits Operating supplies and services Control laboratory $1,048,320 $209,664 $4,504,177 $78,624 $5,840,785 Maintenance Wages and benefits Materials and services $15,260,000 $18,767,405 $34,027,405 Depreciation $665,018,119 (entire plant life) Cost of Manufacture $183,764,004 Total General Expenses $10,764,720 Total Production Cost $155,622,979 Sales Methanol Product Total Sales $215,294,400 Harkins, John. "WHAT IS UNDERGROUND COAL GASIFICATION (UCG)? ." Clean Global Energy (2010): n. pag. Web. 15 Feb 2011

Capital Investment Table 1.3: Annual costs Cost Factor Typical factor in American engineering units Utilities Steam, 300psig $2.40/ 1000lbs Electricity $0.04/KWh Cooling water $0.05/ 1000gal Waste treatment $3.00/ 1000gal MSR catalyst price $6.00/ lb feed water make-up $1.50/ 1000gal Bell, David, and Brian Towler. Coal Gasification and Its Applications. William Andrew, 2010. Print.

Future Goals Include side reactions Account for by products Refine calculations using more accurate conditions Reaction kinetics Economics consistent with our project Distillation column specifics Sizing of equipment Heat exchangers and pumps Compressor

QUESTIONS?