COCO - CAPE-OPEN to CAPE-OPEN simulation environment
 Sample Flowsheets
Sample flowsheets
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description
HDA (HydroDeAlkylation)
fsdHDA.fsd (94 kB) COFE, COUSCOUS, ChemSep, TEA, CORN This case study is a modified version of the 1967 American Institute of Chemical Engineers student contest problem for the dealkylation of toluene to benzene with hydrogen, see "Conceptual Design of Chemical Processes", McGrawHill, 1988, or J.M Douglas, AIChE J., Vol. 31 (1985) p. 353. It features a gas phase reaction with gas recycle as well as a separation train with a recycle of unreacted toluene.
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Cavett-problem
fsdCavett.fsd (54 kB) COFE, COUSCOUS, TEA R.H. Cavett (Cavett, R. H., 'Application of Numerical Methods to the Convergence of Simulated Processes Involving Recycle Loops', American Petroleum Institute, 43, 57, 1963) devised a now famous problem to test tearing, sequencing and convergence procedures of flowsheet simulation programs. The flowsheet is equivalent to a four theoretical stage near isothermal distillation (rather than a conventional near isobaric type).
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Ethanol conversion example
fsdFlowsheetingWithCOCOandChemSep.fsd (42 kB) COFE, ChemSep, COUSCOUS, CORN, TEA This is an example flowsheet for a simple process in which ethanol is converted diethyl ether. The reaction also produces water and two distillation columns are employed to separate the reactor product; unreacted ethanol is recycled. This example is part of an instruction course on the combined use of COCO and The course notes explain how to use COCO and Chemsep in a step-by-step fashion.
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Extractive distillation of MethylCycloHexane/Toluene
fsdCScasebook_MCHT.fsd COFE, ChemSep, COUSCOUS, TEA We need to separate an equimolar mixture of methylcyclohexane (MCH) and toluene (T), and do so by extractive distillation with phenol (P) as the solvent. The process involves two Chemsep LITE distillation columns, a heat exchanger, and a make-up stream. The phenol recycle is cooled to 100 °C. For a high purity of the products the solvent feed to MCH/toluene feed ratio as well as the reflux ratio needs to be sufficiently high (for the extractive column). We need the make-up unit to regulate the amount of phenol in the feed to the first column.
Source: http://www.chemsep.org/

Pressure swing azeotropic distillation of Methanol and Acetone
fsdPressure_Swing_MA_iecr47p2696.fsd COFE, ChemSep, COUSCOUS, TEA Adapted from Luyben et al., Ind. Eng. Chem. Res. (2008) 47 pp. 2696-2707
Methanol and acetone form a minimum temperature azeotrope but the composition of this azeotrope is sensitive to the pressure. We can make use of this to separate the two components into pure products by operating two columns at different pressures.
Source: http://www.chemsep.org/

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Benzene-Toluene-Xylene Divided Wall (Petlyuk) Column
fsdBTX_DWC_iecr48p6034.fsd COFE, ChemSep, TEA Adapted from Luyben et al., Ind. Eng. Chem. Res. (2009) 48 pp. 6034-6049
Benzene-Toluene-Xylene Divided Wall (Petlyuk) Column
Source: http://www.chemsep.org/
An alternative separation of this mixture is described in the Chemsep Book; the corresponding flowsheet is fsdCScasebook_BTX.fsd

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Air Separation Unit
fsdCScasebook_ASU.fsd COFE, ChemSep, COUSCOUS, TEA Air separation unit
Source: http://www.chemsep.org/

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Separation of Butanol and Water
fsdButanol_Water_ef22p4249.fsd COFE, ChemSep, COUSCOUS, TEA Adapted from Luyben et al., Ind. Energy Fuels (2008) 22 pp. 4249-4258
Separation of Butanol and Water by making use of the liquid-liquid-equilibria providing a means to break the vapor-liquid azeotrope.
Source: http://www.chemsep.org/

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Butyl Acetate synthesis from Methyl Acetate
fsdButyl_Acetate_iecr50p1247.fsd COFE, ChemSep, COUSCOUS, CORN, TEA Adapted from Luyben et al., Ind. Eng. Chem. Res. (2011) 50 pp. 1247-1263
Process to synthesize Butyl Acetate from Methyl Acetate and Butanol. Note that the temperature of the last column has been increased to 4.4 atm to match the bottom temperature of the Butyl Acetate column. Also realize that the Methyl Acetate recycle rate is a strong function of the chosen thermodynamic models and their interaction parameters.
Source: http://www.chemsep.org/

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Cumene synthesis from Benzene and Propylene
fsdCumene_iecr49p719.fsd COFE, ChemSep, COUSCOUS, CORN, TEA Adapted from Luyben et al., Ind. Eng. Chem. Res. (2010) pp. 719-734
Cumene synthesis from Benzene and Propylene.
Source: http://www.chemsep.org/

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Methanol synthesis from syngas
fsdMethanol_iecr49p6150.fsd COFE, ChemSep, COUSCOUS, CORN, TEA Adapted from Luyben et al., Ind. Eng. Chem. Res. (2010) 49 pp. 6150-6163
Methanol synthesis from syngas. Note that this flowsheet uses fixed conversion rates in the reactor whereas the original publication uses rate equations. Note that the temperature of the vapor overhead recycle of the methanol column is highly dependent on the flow rate and thermodynamic model selection.
Source: http://www.chemsep.org/

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Separation of Ethanol and Water using pervaporization
fsdPervaporation_iecr48p3484.fsd COFE, ChemSep, COUSCOUS, TEA, SciLab Unit Operation Adapted from Luyben et al., Ind. Eng. Chem. Res. (2009) 48 pp. 3484-3495
Separation of Ethanol and Water using pervaporization to break the azeotrope. Note that the reflux ratio is set instead of the overhead composition because the sensitivity to the binary interaction parameters of the UNIQUAC model and the vapor pressure models. Specification of an 85% overhead would lower the reflux ratio to 2.5, lowering the condenser duty requirement.
Source: http://www.chemsep.org/

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Separation of TetraHydroFuran and Water
fsdTHF_Water_iecr47p2681.fsd COFE, ChemSep, COUSCOUS, TEA Adapted from Luyben et al., Ind. Eng. Chem. Res. (2008) 47 pp. 2681-2695
Separation of TetraHydroFuran and Water by means of two columns operating and different pressures, with heat integration of the bottoms.
Source: http://www.chemsep.org/

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Controlling conversion by manipulating PFR length
fsdcontroller.fsd (67 kB) COFE, COUSCOUS, TEA This example measures reactant flow at the inlet and outlet of a PFR reactor. The measurements are used to calculate the reactant's conversion. A controller is used to modify the reactors length to obtain a specified conversion.
The example demonstrates use of a reaction package, measuring units, an information calculator and a controller. It also demonstrates the use of embedded reports and reactor profile graphs. Note that conversion is calculated here by measuring ethylene flow into and out of the reactor. This is for demonstration purposes; the reactor can be configured such that it exposes conversion of any compound directly.
An alternative version (68 kB) of this flowsheet shows how to control by manipulating a feed flow.

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Combined heat and power cycle
fsdCHP.fsd (20 kB) COFE, COUSCOUS, Water Combined heat and power cycle example, using water as the heat transport medium. The boiler duty is controlled by manipulating the total recycle flow. The client energy consumption is controlled by manipulating recycle flow ratios.
This example demonstrates a closed recycle with a flow-constraint, controllers and embedded reports.

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Water ethanol separation using membrane
fsdWaterEthanolScilab.fsd (35 kB)
fsdWaterEthanolScilabAdiabatic.fsd (34 kB)
COFE, ChemSep, TEA, SciLab Unit Operation Demonstration problem for setting up custom unit operations using formula based input. The examples are available using SciLab, Matlab or Excel to model the custom unit. Each of these requires installation of the proper unit operation tool; these are available from https://www.amsterchem.com/. Simulation of the same case using a component splitter and controllers is also demonstrated, as well as solving the equations analytically by means of information calculators.
Documentation about this demonstration case is available from here:
van Baten, J.M., Taylor, R. and Kooijman, H., Using Chemsep, COCO and other modeling tools for versatility in custom process modeling. Extended abstract of presentation, AIChE annual meeting, Saltlake city, November 2010
A simple model for a membrane separator is used to get around the azeotrope that is present in water-ethanol separation.

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fsdWaterEthanolMatlab.fsd (35 kB)
COFE, ChemSep, TEA, Matlab Unit Operation
fsdWaterEthanolExcel.fsd (47 kB)
COFE, ChemSep, TEA, Excel Unit Operation
fsdWaterEthanol_controlled.fsd (42 kB)
COFE, ChemSep, TEA, COUSCOUS
fsdMembrane_analytical.fsd (200 kB)
COFE, ChemSep, TEA, COUSCOUS
Extractive distillation of Methylal from Methanol using DMF
fsdMethylal_DMF_iecr51p1281.fsd COFE, ChemSep, COUSCOUS, TEA Extractive distillation of Methylal from Methanol using DMF as described by Wang et al. in Ind. Eng. Chem. Res. (2012) Vol. 51 pp. 1281-1292
Source: http://www.chemsep.org/

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Dehydration of Methanol to produce DiMethylEther
fsdDME_ie101583j.fsd COFE, ChemSep, COUSCOUS, CORN Dehydration of Methanol to produce DiMethylEther by Luyben in Ind. Eng. Chem. Res. (2010) Vol. 49 pp. 12224-12241.
Source: http://www.chemsep.org/

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Natural gas separation train
fsdNG_Train_iecr52p10741.fsd COFE, ChemSep, COUSCOUS, TEA Natural gas separation train from Luyben in Ind. Eng. Chem. Res (2013) Vol. 52 pp. 10741-10753.
Source: http://www.chemsep.org/

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Reactive distillation for producing Tert-Amyl Methyl Ether (TAME)
fsdTAME_iecr44p5715.fsd COFE, ChemSep, COUSCOUS, CORN, TEA Reactive distillation for producing Tert-Amyl Methyl Ether (TAME) from a cracked C5-cut by Luyben in Ind. Eng. Chem. Res. (2005) Vol. 44 pp. 5715-5725.
Source: http://www.chemsep.org/

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Reactive distillation for producing Methyl Acetate from Methanol and Acetic Acid
fsdMeAce_RD_Luyben2008p148.fsd COFE, ChemSep, COUSCOUS, TEA Estericification of Acetic Acid with Methanol to Methyl Acetate as described in Reactive Distillation Design and Control by William L. Luyben and Cheng-Ching Yu, Wiley, NY, 2006; pp. 147-164
Source: http://www.chemsep.org/

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Refinery light ends separation by means of distillation
fsdIECR52p15883_Light_Ends.fsd COFE, ChemSep, COUSCOUS, TEA Separation of Natural Gas, W.L. Luyben, Ind.Eng.Chem.Res. Vol. 52 pp. 10741-10753
Source: http://www.chemsep.org/

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EthylBenzene production from Ethylene and Benzene
fsdAIChE57p655_EthylBenzene.fsd COFE, ChemSep, COUSCOUS, CORN, TEA Light ends distillation EthylBenzene production from Ethylene and Benzene by Luyben in AIChE J. Vol. 57 (2011) pp. 655-670.
Source: http://www.chemsep.org/

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Dehydrogenation of 2-Butanol to Methyl Ethyl Ketone
fsdMEK_FVO2746.fsd COFE, ChemSep, COUSCOUS, CORN, TEA Dehydrogenation of 2-Butanol to Methyl Ethyl Ketone catalyzed by In/MgO as per patent DE2831465
Source: http://www.chemsep.org/

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Hydration of Ethylene Oxide to Mono-Ethylene Glycol
fsdEG_IECR48p10840.fsd COFE, ChemSep, COUSCOUS, CORN Hydration of Ethylene Oxide to Mono-Ethylene Glycol (MEG) using an uncatalyzed reactor at 200 °C with kinetics.
Source: http://www.chemsep.org/

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Separation of Ethanol-Water Azeotrope using Benzene as Entrainer
fsdEtOH-Water_AIChEJ29p49.fsd COFE, ChemSep, COUSCOUS, TEA Heterogeneous azeotropic distillation of Ethanol and Water, inspired by the flowsheet described by G. Prokopakis and W.D. Seider in AIChE J. 29 p. 49. This separation process model is extremely sensitive to small changes in the process specifications and also to the parameters used in the thermodynamic model.
Source: http://www.chemsep.org/

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Propane Mixed Refrigerant Cycle
fsdC3MR.fsd COFE, COUSCOUS, TEA C3MR - Propane Mixed Refrigerant Cycle for Natural Gas C3MR LNG Refrigeration Cycle for Natural Gas (NG). This flowsheet was inspired by that given in the report "Modelling and optimization of the C3MR process for liquefaction of natural gas," by Dag-Erik Helgestad (December 2009).
Source: http://www.chemsep.org/

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TEALARC LNG Refrigeration Cycle for Natural Gas
fsdTEALARC.fsd COFE, COUSCOUS, TEA This flowsheet was based on one described in the report "Simulation, optimal operation and self optimisation of TEALARC LNG plant," by Emmanuel Orji Mba (December 2009).
Source: http://www.chemsep.org/

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Ethylene Cracker with high purity separation train
fsdEthylene_Cracker.fsd COFE, CORN, COUSCOUS, TEA Ethylene Cracker Ethylene Cracker with high purity separation train using UOP Multi-Downcomer trays based on the debottlenecking of the EE splitter and the PP splitter of the Port Arthur (TX) Chevron Ethylene Cracker.
Source: http://www.chemsep.org/

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Drying of Natural Gas using TEG
fsdTEG_NG_Drying.fsd COFE, COUSCOUS, TEA, ChemSep Drying of Natural Gas using triethylene glycol.
Source: http://www.chemsep.org/

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Ethanol Water separation with Benzene exhibiting multiplicity
fsdEthanol_Water_Multiplicity.fsd COFE, COUSCOUS, TEA, ChemSep This example is one of the most famous in the entire literature on distillation column modelling having been studied, in one form or another, by many investigators including Magnussen et al. [I.Chem.E.Symp.Series, 56 (1979)], Prokopakis and Seider [AIChE J., 29, 49 (1983)], and Venkataraman and Lucia [Comput.Chem.Engng., 12, 55 (1988)]. The column simulated here is adapted from the work of Prokopakis and Seider.
Source: http://www.chemsep.org/

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Solvents recovery line-up
fsdSolvents_TCPSD.fsd COFE, COUSCOUS, ChemSep Based on Sep.Purif.Technol. 169 (2016) pp. 66-77 combining azeotropic distillation with pressure swing distillation into a three column line-up for recovery of Acrylonitril, Methanol, and Benzene. This mixture forms multiple azeotropes and its triangular diagram has several distillation boundaries at atmospheric pressure. The feasibility of the process was confirmed using rigorous steady-state simulations. This 3-column line-up is the most optimal column sequence in a global optimization to separate the azeotropic mixture.
Source: http://www.chemsep.org/

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Acetone Process via Dehydrogenation of 2-Propanol (IPA)
fsdAcetone_from_IPA.fsd COFE, COUSCOUS, ChemSep Acetone is produced via several alternative processes, one of which is the Acetone Process via Dehydrogenation of 2-Propanol (IPA). This endothermic gas-phase reaction converts IPA to acetone and hydrogen. The process has two distillation columns and an absorber column in which a water stream is used to recover acetone. In Ind.Eng.Chem.Res. Vol. 50 pp. 1206-1218 (2011), Luyben showed that operating the absorber at an elevated pressure reduced Acetone losses but increases vent losses and raises the required temperature and cost of the vaporizer heat source. It also adversely affects the reaction kinetics because the reaction is non-equimolar and conversion decreases with increasing pressure. As such, a higher reactor temperature is required to achieve the desired conversion. The paper proposed the economically optimum design.
Source: http://www.chemsep.org/

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Energy Efficient Hybrid Separation process for Acetic Acid purification
fsdAAEAcW_Energy_Efficient_Hybrid_Separation.fsd COFE, TEA, COUSCOUS, ChemSep The Energy Efficient Hybrid Separation process for Acetic Acid purification is based on Ind. Eng. Chem. Res. Vol. 45, pp. 8319-8328 (2006), a paper discussing strategies that combine one or more separation techniques with distillation where energy efficiency is studied using the novel concept of shortest separation lines. Such hybrid separation schemes include extraction followed by distillation, reactive distillation, adsorption/distillation, and others.
Source: http://www.chemsep.org/

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Hydrogenation of Benzene
fsdCyclohexane_Hydrogenation_Benzene.fsd COFE, TEA, COUSCOUS, CORN, ChemSep Cyclohexane can be produced by the Hydrogenation of Benzene by the ARCO Technology Inc. process as described in Hydrocarbon Processing, November (1977) p. 143. This process has been replaced by the more efficient and economic reactive distillation hydrogenation process from CDtech (US6187980).
Source: http://www.chemsep.org/

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Styrene from EthylBenzene
fsdStyrene_iecr48p10941.fsd COFE, TEA, COUSCOUS, CORN, ChemSep The Styrene process from Ethyl Benzene is based on the Vasudevan design in Ind. Eng. Chem. Res. Vol. 48, pp. 10941 (2009), Figure 15.1. This paper discusses an improvement design over the Styrene plant in "Plant-Wide Process Control" by by Luyben et al. (McGraw-Hill, NY, 1998).
Source: http://www.chemsep.org/

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Biomass Pyrolysis
fsdBTG_pyrolysis.fsd COFE, TEA, COUSCOUS, CORN This is an example flowsheet of the pyrolysis process conducted by Biomass Technology Group, Enschede, The Netherlands. The flowsheet includes the main unit operations, a steam system and the overall energy and carbon balance.
Adapted from: Venderbosch, R. H. (2019), Fast Pyrolysis, Thermochemical Processing of Biomass, R. Brown (Ed.). 32 pp. 175-206, doi:10.1002/9781119417637.ch6
More information: Pyrolysis in COCO flowsheeting, presented at the CAPE-OPEN AGM 2021, Oct 28

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Carbonylation of Di-Methyl Ether with CO to Methyl Acetate
fsdCarbonylationDME_ie101583j.fsd COFE, COUSCOUS, CORN, ChemSep Carbonylation of Di-Methyl Ether with CO to Methyl Acetate by Diemer and Luyben in in Chem.Eng.Res.Des. Vol. 49 page 12224-12241. Dimethyl ether (DME) is produced by dehydration of Methanol. In a second step DME is carbonylized with CO over zeolites to produce Methyl Acetate (for kinetics see Cheung et al. Angew.Chem.Int.Ed. (2006) 45, pp. 1617-1620. The process illustrates a number of important design trade-offs among the many design optimization variables: reactor temperatures, reactor pressures, distillation column pressures, reactor sizes and purge composition.
Source: http://www.chemsep.org/

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Alkylation of Butene and Isobutane
fsdBB-alkylation.fsd COFE, COUSCOUS, CORN, ChemSep Alkylation of Butene and Isobutane as described by Luyben in Principles and Case Studies of Simultaneous Design (Wiley, 2011). This flowsheet implements a simplification of the Kellogg Sulfuric Acid Butene-Butane Alkylation Process, as adapted from figure 7.2 in Chapter 7. Reaction parameters from R. Mahajanam, R.V. Zheng, J.M. Douglas, "A shortcut method for control variable section and its application to the butane alkylation process", Ind. Eng. Chem. Res. (2001) 40, p. 3208.
Source: http://www.chemsep.org/

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Ethylene Oxide Process
fsdEO_US7598405.fsd COFE, COUSCOUS, CORN, ChemSep Ethylene Oxide Process as per US 7,598,405 co-producing high purity Ethylene Oxide (EO) and Ethylene Glycol (EG).
Source: http://www.chemsep.org/

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Improved BenzOut Process
fsdImproved_BenzOutProcess.fsd COFE, COUSCOUS, CORN, ChemSep Improved BenzOut Process using a Dividing Wall Column (with sloped wall) with enhanced product recovery. This process was developed by ExxonMobile (CA2754816C) and features a zeolite fixed bed liquid reactor operating at low temperatures where the Benzene in reformate from a CCR is converted for 95% to alkylbenzenes by reacting it with refinery grade (95%) Propylene from a FCC unit. This generates a Mogas blending stream with a higher octane number (by 2-3 points on RON/MON) that is within Benzene specification. As a by-product Propane of HD5 quality is generated.
By combining this process with the Dividing Wall Column (DWC) as disclosed by Dejanovic et al. as described in Ind. Eng. Chem. Res. (2011) Vol. 50 pp. 5680-5692 (with sloped wall DWC) an approximate 40% reduction in Total Annulaized Cost and a 5% larger product flowrate can be obtained. The DWC produces a heart-cut Benzene rich stream that results in smaller reactors that can be run with a 99% conversion. The resulting stream is stabilized and mixed with the heavy reformate stream.
Source: http://www.chemsep.org/

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Refrigeration cycles
fsdRefrigeration_Ammonia-30C.fsd
fsdRefrigeration_Propylene-30C.fsd
fsdRefrigeration_Propylene-50C.fsd
fsdRefrigeration_2-Stage-100C.fsd
fsdRefrigeration_3-Stage-150C.fsd
fsdRefrigeration_4-Stage-190C.fsd
COFE, COUSCOUS, TEA Refrigeration cycles with Ammonia, Propylene, 2-step Propylene+Ethylene, 3-step Propylene+Ethylene+Methane, and 4-step Propylene+Ethylene+Methane+Nitrogen for cooling at -30, -50, -100, -150, and -190 °C as described by Luyben (2019) in Chem.Eng.Process.Intens. 138 (2019) pp. 97-110 and Comp.Chem.Engng 126 (2019) pp. 241-248.
Source: http://www.chemsep.org/

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Kalina cycle
fsdKalina_ECM178p78.fsd COFE, COUSCOUS, ChemSep Exergy and economic assessment of a solar-driven Kalina cycle (4/1/2021) with Ammonia-Water as per Mehrpooya and Mousavi in Energy Conversion and Management (2018) 178, pp. 78-91.
Source: http://www.chemsep.org/

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Acetic Acid Cativa(TM) process
fsdAceticAcid_ChERD159p1.fsd COFE, COUSCOUS, CORN, ChemSep This flowheet was inspired by the article of Dimian and Kiss on the Acetic Acid Cativa(TM) process for making acetic acid from carbon monoxide and methanol, see Chem.Eng.Res.Des. (2020) 159, pp. 1-12. The recycle is estimated; neither Dimian and Kiss nor we included the necessary recovery units in the model. This flowsheet examplifies the use of two different K-models: PSRK equation of state for the high pressure reactor section and gamma-phi model for the separation section where the difficult separation between acetic acid and water is key. The binary interaction parameters have been fit to data for most of the nonideal binary mixtures found in this process. There is scope for further improvement in modeling the solubility of the light gases in the separaton section; here we adopted the approach of Prausnitz et al. (1980).
Source: http://www.chemsep.org/

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Extraction separation of CO2 from NG
fsdCO2fromNG_iecr52p10780.fsd COFE, COUSCOUS, ChemSep Extraction separation of CO2 from NG. For many years CO2 has been injected into oil and gas wells in an effort to extract more crude oil and natural gas. After methane has been separated from the CO2-rich gas in a demethanizer the CO2 needs to be recovered so that it can be re-injected into the well. The separation of CO2 from the ethane rich fluid is complicated because of an azeotrope that exists between CO2 and ethane. One approach to breaking azeotropes is via extractive distillation. In the process in this document the solvent is a mixture of the higher molecular weight hydrocarbons. This flowsheet was adapted from one described by W.L. Luyben. Ours uses the PPR78 EOS which employs a group contribution method for the estimation of temperature dependent binary interaction parameters. Luyben, W. L. Control of an Extractive Distillation System for the Separation of CO2 and Ethane in Enhanced Oil Recovery Processes Ind.Eng.Chem.Res. (2013) 52 pp. 10780-10787.
Source: http://www.chemsep.org/

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Ethyl Benzene Styrene Monomer process
fsdEB-SM.fsd COFE, COUSCOUS, ChemSep, CORN Combined Ethyl Benzene (EB) Styrene Monomer (SM) process as shown in the 2005 AIChE Spring Meeting presentation "Design Guidelines for Distillation Columns in Ethyl-benzene and Styrene Monomer Service" by Peter Faessler et al. who discuss the Badger-SM process with details about revamping of the EB/SM splitter with high capacity structured packing for increasing performance specifciations. The flowsheet features the use of different ChemSep Cape-Open Property Packages (ChemSep/Copp) for the high and low pressure operations.
Source: http://www.chemsep.org/

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Ethyl benzene
fsdEthylBenzene.fsd (614 kB) COFE, COUSCOUS, TEA, CORN The example is from "Design and Control of Ethylbenzene Process", William, L. Luyben., AIChE Jour. Vol 57, No. 3, March 2011. pp 655 - 670. doi 10.1002/aic. This CSTR for production of Ethylbenzene has been simulated. Ethylene reacts with benzene to produce Ethylbenzene. The undesired reaction is production of Diethylbenzene. It is formed by reaction of Ethylbenzene with ethylene. This example demonstrates how difference in activation energy is used to affect the selectivity. The rate expression is verified from, "Chemical Reactor Design and Control", Wiley, 2007, William Luyben. Chapter 2, pp 72. The yield of the reaction is 90% and the selectivity is, 78.93%.
Contributed by Prof. Arvind Prasad of D. J. Sanghvi College of Engineering.

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Ethanol-Amines process
fsdEA_US4355181.fsd COFE, COUSCOUS, ChemSep, CORN Process for a SRI 45 KTA Mono-Ethanol-Amine (MEA) / Di-Ethanol-Amine (DEA) / Tri-Ethanol-Amine (TEA) production as per US 4,355,181 and described in Korean J. Chem. Eng Vol. 26, No. 6 pp. 1504-1511 (2009), using fixed conversion reactors and a substitute for the heavier ethanol amines. Two different ChemSep Cape-Open Property Packages are used: The SRK-UMR is used to describe the VLE in the high pressure reactor section and the gamma-phi method with NRTL parameters predicted from UNIFAC is used for the vacuum distillation of the ethanolamines.
Source: http://www.chemsep.org/

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Isopropyl Alcohol Synthesis
fsdiecr55p3614.fsd COFE, COUSCOUS, ChemSep, CORN Process for Isopropyl Alcohol synthesis from Propylene and Water adapted from Niu et al., Ind. Eng. Chem. Res. 2016, 55, 12, 3614-3629. This flowsheet demonstrates the use of multiple K-models. The Peng-Robinson equation of state is used for the separation of propylene from propane allowing for the reactant to be recycle back to the reactor. The NRTL model is used for the remaining operations of the process and the binary interaction parameters have been fit to available experimental data for the nonideal binary mixtures involved in this process. Due to the possibility of three phases in the pairs containing Propane/Proylene and Water the UNIFAC model is used to predict those parameters. To increase temperature and prevent two liquid phases from forming, the first column utilizes a partial condenser. The most difficult separation in this process is between Water and Isopropyl Alcohol therefore the solvent DMSO (Dimethyl Sulfoxide) is introduced to the final separation section effectively allowing for a desirable final product of IPA. Niu et al. describe aditional improvements that can made to this process.
Source: http://www.chemsep.org/

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Process for Fatty Alcohols
fsdFatty_Alcohols.fsd COFE, COUSCOUS, ChemSep, CORN Process for Fatty Alcohols from Palm Kernel Oil adapted from a Oleochemicals Chemicals 2011 presentation by OXITENO on their Brazilian process plants. This flowsheet demonstrates the use of multiple K-models. The SRK-UMR equation of state is used for the hydrolysis of the oil into fatty acids, the conversion of these to Fatty Acids Methyl Esters (FAME) and the hydrogenation of FAME to the fatty alcohols. Consequently, the DECHEMA-UNIFAC model is used for the separation train of the fatty alcohols in vacuum columns. The binary Vapor-Liquid diagrams of the fatty acids are displayed on the flowsheet. Note we also use different color schemes to illustrate where each package is used. The units and streams using SRK-UMR display in dark grey when solved whereas those units and streams using DECHEMA-UNIFAC are shown in green when solved.
Source: http://www.chemsep.org/

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Process for Fatty Acids
fsdFatty_Acids.fsd COFE, COUSCOUS, ChemSep, CORN Process for Fatty Acids from Palm Kernel Oil adapted from a Oleochemicals Chemicals 2011 presentation by OXITENO on their Brazilian process plants. This flowsheet demonstrates the use of multiple K-models. The SRK-UMR equation of state is used for the hydrolysis of the oil into fatty acids and the separation in C12, C14, C16, and C18 acids. Note that the C18 fatty acids are not lumped but split out over three fractions of Lineic, Linoleic, and Stearic acids. Consequently, the DECHEMA-UNIFAC model is used for the separation train of the fatty alcohols in vacuum columns. Some of the binary Vapor-Liquid diagrams of the fatty acids are displayed on the flowsheet. We use different colors to illustrate where each package is used: The units and streams using DECHEMA-UNIFAC are shown in green when solved.
Source: http://www.chemsep.org/

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Reformate Splitter
fsdIECR50p5680_Reformate_Splitter.fsd COFE, ChemSep Process for Fatty Acids from Palm Kernel Oil adapted from a Oleochemicals Chemicals 2011 presentation by OXITENO on their Brazilian process plants. This flowsheet demonstrates the use of multiple K-models. The SRK-UMR equation of state is used for the hydrolysis of the oil into fatty acids and the separation in C12, C14, C16, and C18 acids. Note that the C18 fatty acids are not lumped but split out over three fractions of Lineic, Linoleic, and Stearic acids. Consequently, the DECHEMA-UNIFAC model is used for the separation train of the fatty alcohols in vacuum columns. Some of the binary Vapor-Liquid diagrams of the fatty acids are displayed on the flowsheet. We use different colors to illustrate where each package is used: The units and streams using DECHEMA-UNIFAC are shown in green when solved.
Source: http://www.chemsep.org/

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Extraction of Aromatics with Sulfolane
fsdSulfolane-LLX.fsd COFE, ChemSep, COUSCOUS Extraction of Aromatics with Sulfolane from a refinery catalytic reformer stream after Figure 10.1 in T.Brouwer (PhD TU Twente 2021). Aromatics are removed from the stabilized reformate using a liquid-liquid extraction column with Sulfolane. The extractor is operated with a recycle of light C5 alkanes and Sulfolane is washed out from the raffinate with water. The aromatics are recovered from the sulfolane under vacuum conditions.
Source: http://www.chemsep.org/

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