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This is our main download page for ChemSep containing updates for the latest LITE version as well as case stories and examples. This page is changing frequently.

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[lite.exe] ChemSep-LITE, limited to 300 stages and 40 components with the equilibrium flash/column simulator and 400+ component library.
[lite.zip] ChemSep-LITE Zip-file installer


Our Databases page provides an overview of all the data we make publically available.

 Flowsheets that use ChemSep

We use COCO as tool for testing ChemSep columns in (petro)chemical process simulations. This free simulation tool is a great platform for students to become familiar with various commercial chemical processes and the simulation techniques required for design and optimization of chemical process plants. If you are unfamiliar with COCO there are two introductions you can read to get started quickly: CAPE-OPEN Flowsheet Simulations with ChemSep and Flowsheeting with COCO and ChemSep (2010)

Files Description
[fsd] [png] Ethyle Benzene Styrene Monomer process NEW: Ethyl Benzene Styrene Monomer process (4/4/2021). 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.
[fsd] [png] Extractive separation of CO2 from NG Extraction separation of CO2 from NG (24/1/2021). 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.
[fsd] [png] Acetic Acid process This flowheet was inspired by the article of Dimian and Kiss on the Acetic Acid Cativa(TM) process (21/2/2021) 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).
[fsd] [png] Improved BenzOut Process with DWC Improved BenzOut Process (29/12/2020) 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.
[fsd] [png] Kalina Cycle 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
[fsd] [fsd] [fsd] [fsd] [fsd] [fsd] [png] Refrigeration 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 (17/1/2021).
[fsd] [png] Ethylene Oxide Process as per US 7,598,405 Ethylene Oxide Process as per US 7,598,405 (18/1/2021) co-producing high purity Ethylene Oxide (EO) and Ethylene Glycol (EG). The reactor was setup around Start of Run (SOR) data on inlet and outlet mass rates provided in the 2015 PhD thesis by Samir C. Nimkar on the Exergy Analysis of industrial chemical processes. At SOR the reactor outlet temperature is 233 C. At 20.5 bar the high activity catalyst reaches an initial selectivity of 81% and 12% Ethylene conversion per pass. Conversion of undesired by-products Acetaldehyde and Formaldehyde were set to 0.1% and 0.01%, respectively (as per 2012 PhD thesis of Madhav Ghanta). The simulation here is setup for an EO production of just 1 t/h whereas real industrial reactors are sized to produce anywhere from 50 to 150 t/h.
[fsd] [png] Alkylation of Butene and Isobutane Alkylation of Butene and Isobutane (26/1/2021) 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. Note: To converge from a resetted flowsheet you need to hook-up both the gas and liquid recycle flows as given in Luyben. After convergence is obtained you can then link-up the liquid recycle first, and solve again. After converging the flowsheet again the gas recycle can also be linked-up.
[fsd] [png] Carbonylation of Di-Methyl Ether to Methyl Acetate Carbonylation of Di-Methyl Ether with CO to Methyl Acetate (19/8/2020) by Diemer and Luyben in Ind.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.
[fsd] [png] Extractive Distillation of Di-Methyl Carbonate and Methanol Extractive Distillation of Di-Methyl Carbonate (DMC) and Methanol (6/4/2020) using four different solvents as described in Ind.Chem.Eng.Res.Des. Vol. 127 page 189. DMC forms an azeotrope with Methanol. The paper discusses a holistic, three-tiered approach to find alternative extractive distillation entrainers via a preliminary entrainer screening, measurement of limiting activity coefficients via headspace gas chromatography, and full binary Vapor-Liquid Equilibria measurements using a dynamic recirculation cell. The effectiveness of the entrainers were then quantitatively assessed by simulation of the heat-integrated line-ups and compared with that of the industrially used entrainer, Phenol. The simulation results reveal Methyl Salicylate as an MSA outperforms all other entrainers.

This flowsheet illustrate how ChemSep can perform the fitting of the four new binary VLE data-sets to obtain UNIQUAC binary interaction parameters which are used in a ChemSep Cape-Open Property Package (CS/COPP) and how the sizing of the columns on the rating panel can directly provide the Total Annualized Cost (TAC) for each entrainer at the flowsheet level to optimize the process.

[fsd] [png] PDH Cold Box US633445 Cold box for the production of Propylene by Propane DeHydrogenation (PDH) from US 6,333,445 from Chart, Inc (21/2/2020).
[fsd] [png] LPG Divided Wall Column LPG Divided Wall Column (19/5/2019) for a lower cost separation of LPG from Natural Gas as described in December 2018 Gas Processing issue.
[pdf] [fsd] [png] ASU flowsheet ASU PFD ASU (27/5/2018) flowsheet by H.Kooijman (original 2006). Air Separation unit producing 60 t/h oxygen (recovery 75%) and liquid argon (recovery 85%) using a simplified flowsheet (i.e. refrigeration air is not compressed to a higher pressure, resulting in a lower efficiency, and the simple Peng-Robinson equation of state is used for simulation, leading to inaccuracies in the predicted refrigeration due to the JT effect).
[fsd] [png] Butyl acetate process Process to synthesize Butyl Acetate from Methyl Acetate and Butanol (18/12/2011), adapted from Luyben et al., Ind.Eng.Chem.Res. (2011) 50 pp. 1247-1263. 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.
[fsd] [png] Cumene process Process for producing Cumene from Benzene and Propylene (18/12/2011) as adapted by Luyben in Ind.Eng.Chem.Res. (2010) Vol. 49 pp. 719-734. Note that this flowsheet uses fixed conversion rates in the reactor whereas the original publication uses rate equations.
[fsd] [png] Butanol Water heterogeneous distillation Separation of Butanol and Water by making use of the liquid-liquid-equilibria providing a means to break the vapor-liquid azeotrope, adapted from Luyben et al. Energy Fuels (2008) 22 pp. 4249-4258.
[fsd] [png] Pressure swing distillation Separation of the Methanol and Acetone minimum temperature azeotrope by using the pressure sensitivity of the azeotropic composition of this mixture by operating two columns at different pressures, adapted from Luyben et al. Ind.Eng.Chem.Res. (2008) 47 pp. 2696-2707.
[fsd] [png] Methanol from syngas Methanol synthesis from syngas as described by Luyben et al. Ind.Eng.Chem.Res. (2010) 49 pp. 6150-6163. Note that this flowsheet uses fixed conversion rates in the reactor whereas the original publication uses rate equations. Furthermore, the temperature of the vapor overhead recycle of the methanol column is highly dependent on the flowrate and thermodynamic model selection.
[fsd] [png] BTX Petlyuk / divided wall column BTX Petlyuk / Divided Wall Column as described by Luyben in Ind. Eng. Chem. Res. (2009) Vol. 48 pp. 6034-6049 simulated as one column.
[fsd] [png] Pervaporation (hybrid) distillation of ethanol and water 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. Adapted from Luyben, Ind.Eng.Chem.Res. (2009) 48 pp. 3484-3495.
[fsd] [png] THF / Water azeotropic distillation Pressure swing THF / Water azeotropic distillation with two columns operating at different pressures using heat integration, as described by Luyben in Ind.Eng.Chem.Res. (2008) Vol. 47 pp. 2681-2695.
[pdf] [fsd] [png] MCHT Extractive distillation of MethylCyloHexane/Toluene using Phenol adapted from Tiverios and Van Brunt in Ind.Eng.Chem.Res. (2000) 39, pp. 1614-1623
[fsd] [png] MA 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.
[pdf] [sep] Aromatics column described by R. Strigle (Gulf., 1987).
[pdf] [sep] Depropanizer described by R. Strigle (Gulf., 1987) to recover propylene and propane from C4 and heavier hydrocarbons.
[pdf] [sep] Azeotropic distillation column of Methanol / Isopropanol with Water by DeRosier.
[pdf] [sep] industrial i-butane/n-butane splitter as reported by Klemola and Ilme .
[pdf] [sep] How to model columns involving components that are not included in the databank.
[pdf] How to add compounds to the ChemSep databanks.
[fsd] Benzene/Toluene/p-Xylene separation train from ChemSep book.
[fsd] [png] DiMethylEther by dehydration of Methanol Dehydration of Methanol to produce DiMethylEther (DME) as described by Diemer and Luyben in Ind.Chem.Eng.Res.Des. Vol. 49 page 12224-12241.
[fsd] [png] Natural Gas Train Natural Gas separation train from Luyben in Ind.Eng.Chem.Res (2013) Vol. 52 pp. 10741-10753.
[fsd] [png] TAME 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.
[fsd] [png] Methyl Acetate Esterification of Acetic Acid with Methanol to Methyl Acetate by means of reactive distillation as described in Reactive Distillation Design and Control by William L. Luyben and Cheng-Ching Yu, Wiley, NY (2006) pp. 147-164.
[fsd] [png] Light ends distillation Refinery light ends separations (depropanizer, debutanizer, deisobutanizer) by means of distillation by Luyben in Ind.Eng.Chem.Res., 52 (2013) pp. 15883-15895.
[fsd] [png] Methyl Acetate 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.
[fsd] [png] Light ends distillation EthylBenzene production from Ethylene and Benzene by Luyben in AIChE J. Vol. 57 (2011) pp. 655-670. Note that this flowsheet uses fixed conversion rates in the reactor whereas the original publication uses rate equations.
[fsd] [png] Methyl Ethyl Ketone Dehydrogenation of 2-Butanol to Methyl Ethyl Ketone catalyzed by In/MgO as per DE2831465A1 (1978)
[fsd] [png] Light ends distillation Hydration of Ethylene Oxide to Mono-Ethylene Glycol (MEG) using an uncatalyzed reactor at 200 C with kinetics from Ind.Eng.Chem.Res. 48 (2009) pp. 10840-10844.
[fsd] [png] Ethanol-Water 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.
[fsd] [png] 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).
[fsd] [png] TEALARC TEALARC LNG Refrigeration Cycle for Natural Gas (NG). 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).
[fsd] [png] Ethylene Cracker Ethylene Cracker with high purity separation train using UOP Multi-Downomer trays based on the debottlenecking of the EE splitter and the PP splitter of the Port Arthur (TX) Chevron Ethylene Cracker. "Stone and Webster's ARS technology was implemented in Chevron's ARS and refinery-gas dephlegmator coldboxes during the revamp in 1997. Chevron Chemical Co. LLC's Port Arthur, Tex., ethylene unit (EU-1544) was expanded from 1.0 billion lb/year to 1.7 billion lb/year.".
[fsd] [png] TEG NG Drying Drying of Natural Gas using TEG.
Perry Example 2 Perry Example 3 Perry Example 4 Perry Example 5 Perry Example 6 Examples from Chapter 13 Distillation of Perry's Chemical Engineers' Handbook:
2) Simple absorber for Butane and Pentane recovery from process gas using absorbent oil (here simulated with n-Dodecane),
3) Simple two cut splitter separating Butane and Pentane,
4) Three cut splitter with side-draw that creates a sloppy Butane cut,
5) Two-step absorber with internal cooling to maximize LPG recovery, and
6) Reboiled stripper to remove light gases (N2, C1-C3) from heavier compounds.
[fsd] [png] TEG NG Drying Ethanol Water separation with Benzene exhibiting multiplicity This example is one of the most famous in the entire literature on distillation column modeling 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.
Liquid compositions for the multiple solutions.
[fsd] [png] Triple Column Pressure Swing Distillation Solvents recovery line-up 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.
[fsd] [png] Acetone from IsoPropanol 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.
[fsd] [png] Energy Efficient Hybrid Separation 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.
[fsd] [png] Hydrogenation of Benzene 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).
[fsd] [png] Styrene from EthylBenzene The Styrene process from EthylBenzene 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 Luyben et al. (McGraw-Hill, NY, 1998).

All your suggestions are welcome, send them to Harry Kooijman.

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