| Sample flowsheets | ||
file |
requires |
description |
| HDA (HydroDeAlkylation) | ||
 HDA.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. preview... |
| Cavett-problem | ||
|
Cavett.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).
preview... |
| Ethanol conversion example | ||
|
FlowsheetingWithCOCOandChemSep.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.
preview... |
| Extractive distillation of MethylCycloHexane/Toluene | ||
|
CScasebook_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 | ||
|
Pressure_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/ preview... |
| Benzene-Toluene-Xylene Divided Wall (Petlyuk) Column | ||
|
BTX_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 CScasebook_BTX.fsd
preview... |
| Air Separation Unit | ||
|
CScasebook_ASU.fsd
|
COFE, ChemSep, COUSCOUS, TEA |
Air separation unit
Source: http://www.chemsep.org/ preview... |
| Separation of Butanol and Water | ||
|
Butanol_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/ preview... |
| Butyl Acetate synthesis from Methyl Acetate | ||
|
Butyl_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/ preview... |
| Cumene synthesis from Benzene and Propylene | ||
|
Cumene_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/ preview... |
| Methanol synthesis from syngas | ||
|
Methanol_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/ preview... |
| Separation of Ethanol and Water using pervaporization | ||
|
Pervaporation_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/ preview... |
| Separation of TetraHydroFuran and Water | ||
|
THF_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/ preview... |
| Controlling conversion by manipulating PFR length | ||
|
controller.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. preview... |
| Combined heat and power cycle | ||
|
CHP.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. preview... |
| Water ethanol separation using membrane | ||
|
WaterEthanolScilab.fsd (35 kB)WaterEthanolScilabAdiabatic.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. preview... |
|
WaterEthanolMatlab.fsd (35 kB) |
COFE, ChemSep, TEA, Matlab Unit Operation | |
|
WaterEthanolExcel.fsd (47 kB) |
COFE, ChemSep, TEA, Excel Unit Operation | |
|
WaterEthanol_controlled.fsd (42 kB) |
COFE, ChemSep, TEA, COUSCOUS | |
|
Membrane_analytical.fsd (200 kB) |
COFE, ChemSep, TEA, COUSCOUS | |
| Extractive distillation of Methylal from Methanol using DMF | ||
|
Methylal_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/ preview... |
| Dehydration of Methanol to produce DiMethylEther | ||
|
DME_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/ preview... |
| Natural gas separation train | ||
|
NG_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/ preview... |
| Reactive distillation for producing Tert-Amyl Methyl Ether (TAME) | ||
|
TAME_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/ preview... |
| Reactive distillation for producing Methyl Acetate from Methanol and Acetic Acid | ||
|
MeAce_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/ preview... |
| Refinery light ends separation by means of distillation | ||
|
IECR52p15883_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/ preview... |
| EthylBenzene production from Ethylene and Benzene | ||
|
AIChE57p655_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/ preview... |
| Dehydrogenation of 2-Butanol to Methyl Ethyl Ketone | ||
|
MEK_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/ preview... |
| Hydration of Ethylene Oxide to Mono-Ethylene Glycol | ||
|
EG_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/ preview... |
| Separation of Ethanol-Water Azeotrope using Benzene as Entrainer | ||
|
EtOH-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/ preview... |
| Propane Mixed Refrigerant Cycle | ||
|
C3MR.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/ preview... |
| TEALARC LNG Refrigeration Cycle for Natural Gas | ||
|
TEALARC.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/ preview... |
| Ethylene Cracker with high purity separation train | ||
|
Ethylene_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/ preview... |
| Drying of Natural Gas using TEG | ||
|
TEG_NG_Drying.fsd
|
COFE, COUSCOUS, TEA, ChemSep |
Drying of Natural Gas using triethylene glycol.
Source: http://www.chemsep.org/ preview... |
| Ethanol Water separation with Benzene exhibiting multiplicity | ||
|
Ethanol_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/ preview... |
| Solvents recovery line-up | ||
|
Solvents_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/ preview... |
| Acetone Process via Dehydrogenation of 2-Propanol (IPA) | ||
|
Acetone_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/ preview... |
| Energy Efficient Hybrid Separation process for Acetic Acid purification | ||
|
AAEAcW_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/ preview... |
| Hydrogenation of Benzene | ||
|
Cyclohexane_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/ preview... |
| Styrene from EthylBenzene | ||
|
Styrene_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/ preview... |
| Biomass Pyrolysis | ||
|
BTG_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 preview... |
| Carbonylation of Di-Methyl Ether with CO to Methyl Acetate | ||
|
CarbonylationDME_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/ preview... |
| Alkylation of Butene and Isobutane | ||
|
BB-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/ preview... |
| Ethylene Oxide Process | ||
|
EO_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/ preview... |
| Improved BenzOut Process | ||
|
Improved_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/ preview... |
| Refrigeration cycles | ||
|
Refrigeration_Ammonia-30C.fsdRefrigeration_Propylene-30C.fsdRefrigeration_Propylene-50C.fsdRefrigeration_2-Stage-100C.fsdRefrigeration_3-Stage-150C.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/ preview... |
| Kalina cycle | ||
|
Kalina_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/ preview... |
| Acetic Acid Cativa(TM) process | ||
|
AceticAcid_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/ preview... |
| Extraction separation of CO2 from NG | ||
|
CO2fromNG_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/ preview... |
| Ethyl Benzene Styrene Monomer process | ||
|
EB-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/ preview... |
| Ethyl benzene | ||
|
EthylBenzene.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. preview... |
| Ethanol-Amines process | ||
|
EA_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/ preview... |
| Isopropyl Alcohol Synthesis | ||
|
iecr55p3614.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/ preview... |
| Process for Fatty Alcohols | ||
|
Fatty_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/ preview... |
| Process for Fatty Acids | ||
|
Fatty_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/ preview... |
| Reformate Splitter | ||
|
IECR50p5680_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/ preview... |
| Extraction of Aromatics with Sulfolane | ||
|
Sulfolane-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/ preview... |
| Rectisol Process for SynGas with CO2 for EOR | ||
|
Rectisol-CCS.fsd
|
COFE, ChemSep, COUSCOUS |
This process describes the Rectisol process to remove all CO2 from syn-gas by absorbing in cold methanol
(Rectisol process) as described by Gatti et al. (2014).
Note that some processes may benefit from not removing all CO2 from the syngas. The CO2 is compressed to a pressure of
150 bar for reservoir injection for Enhanced Oil Recovery purposes. The H2S removal is simplified and simulated
as a simple Claus separation block.
Source: http://www.chemsep.org/ preview... |
| Novel Hydrogren Liquefaction Cycle | ||
|
H2_Liquefaction.fsd
|
COFE, ChemSep, COUSCOUS, CORN |
Novel hydrogen Liquefaction cycle as described by
L. Yin and Y. Ju, Int. J.Refrig. 110 (2020) pp. 219-230,
which utilizes a liquid nitrogen pre-cooling system as well as a helium cryogenic cycle. The regular Hydrogen component is normally
simulated as a single molecule but in this cycle we distinguish between the ortho- and para-magnetic isomers Hydrogen actually
consists of. Hence we first convert a stream consisting of regular Hydrogen component into the two isomers. At room temperature,
Hydrogen consists of 75 percent ortho-H2 and 25 percent para-H2. The conversion between the two isomers para-hydrogen and
ortho-hydrogen is achieved in a series of reactors loaded with Iron (III) Hydroxide (Fe(OH)3) as the catalyst.
The original publication did not account for the energy difference between ortho- and para-Hydrogen.
This was corrected by inclusion of an offset for the Heat of Formation of ortho-H2. This is why the conversion
of regular Hydrogen into its two isomers has a heat effect that in reality isn't there.
Source: http://www.chemsep.org/ preview... |
| Extraction Distillation of Aromatics with Sulfolane and bio-based solvent Cyrene | ||
|
Sulfolane-ED.fsd
|
COFE, ChemSep, COUSCOUS |
Extraction Distillation of Aromatics with Sulfolane and bio-based solvent Cyrene from a stabilized
refinery reformate after figures 10.2 and 10.6 from T.Brouwer (PhD TU Twente 2021). See alse
Brouwer, Schuur, J.Chem.Techn. & Biotech. 96 p. 2630.
Here, the aromatics are represented by Toluene, and the naphthenic compoinents by MethylCycloHexane (MCH).
The separation is simulated using the UNIFAC activity coefficient model, which allows inclusion of any hydrocarbon
compounds. The aromatics are recovered from the solvents under vacuum conditions in the Solvent Recovery (SR)
column, which is heat integrated with the feed to the ED column. For Sulfolane, the SR bottoms is hot enough
such that an additional heat integration step can be done. This step lowers the overall energy consumption
for Sulfolane compared to Cyrene. A parametric study was performed for different Solvent/Feed
ratios to determine the optimum. For Sulfolane this is at S/F=1.5.
Source: http://www.chemsep.org/ preview... |
| Extractive Distillation of Benzene using NFM | ||
|
Brondani2015_NFM-Benzene.fsd
|
COFE, ChemSep, COUSCOUS |
Extractive distillation of Benzene using N-Formyl Morpholine (NFM) based on
Brondani et al. (2015) Braz. J. Chem. Engng. Vol. 32 p. 283.
Benzene and NFM are separated from a mixture of C6 non-aromatic compounds in an Extractive Distillation (ED) column.
Benzene is recovered from the mixture with NFM under vacuum conditions in the Solvent Recovery (SR) column,
which is heat integrated with the reboiler of the ED column, resulting in a significant reduction of energy
required. The recovered NFM from the SR column is recycled back into the ED column. This process is
simulated using the UNIFAC activity coefficient model, with modified interaction parameters for the NFM-ACH
and NFM-ACCH2 groups on the hand of Vapor-Liquid Equilibria data of NFM with Benzene, Toluene, and p-Xylene.
Source: http://www.chemsep.org/ preview... |
| 2,6-Xyleneol US3707569 45 KTA 26-Xylenol or (Di-Methyl Phenol) process plant | ||
|
26Xylenol-US3707569.fsd
|
COFE, ChemSep, COUSCOUS, CORN |
2,6-Xyleneol US3707569 45 KTA 26-Xylenol or (Di-Methyl Phenol) process plantusing
liquid phase methylation of Phenol US patent 3,707,569.
Phenol is selectively methylated at the ortho-position by reacting it in a 2.3 to 1 ratio with Methanol in the liquid phase
at 250 deg C and 150 bar over a catalyst. Single-pass conversion reached 50 percent with a selectivity of 70 percent
to o-Cresol and 25 percent to 2,6-Xylenol. The unreacted Methanol is recycled to increase yield. Phenol in the produced
water is removed using a Toluene liquid-liquid extraction. Unreacted Phenol and a part of the produced o-Cresol is recycled.
The disadvantage in this process is that the catalyst produces relatively large amounts of Anisoles that form a
close boiling systems with Phenol and other species. As such, a bleed must be taken.
Source: http://www.chemsep.org/ preview... |
| Top-Split DWC for LPG Recovery on a FLNG facility | ||
|
DWC_FLNG_iecr51p10021.fsd
|
COFE, ChemSep, COUSCOUS |
Lee et al. published a Top-Split DWC for LPG Recovery on a FLNG facility
(Ind.Eng.Chem.Res. Vol. 51 (2012) p. 10021).
The bottoms of a demethanizer is fed to a top-split DWC where the rich Methane/Ethane recycle is taken
off first (left of the dividing wall), whereas a LPG with 97% C3/C4 content is produced on the right hand
side of the wall. The column bottoms is a stabilized condensate with approximately 0.05% C4 content. Note that
the demethanizer column is run with a split feed where warm feed is used as boilup vapor to avoid the need for a reboiler.
Source: http://www.chemsep.org/ preview... |
| Shell Higher Olefin Process | ||
|
SHOP-US4020121-K=0.65.fsd
|
COFE, ChemSep, COUSCOUS, CORN |
The Shell Higher Olefin Process (SHOP) as described in
US Patent 4,020,121 (1977) and
Catalysis Today Vol. 14, 1992, p.1.
See also
E.F.Lutz, J. Chem. Educ. 1986, 63, 3, p. 202.
A stream of 50 t/h Ethylene is oligomerized under 90 C and 90 bar pressure in 1,4-Butanediol (BDO)
as solvent in a solvent to oligimer ratio of 10:1 producing about 76 KTA 1-butene and 324
KTA higher linear alpha-olefins. We use a fixed conversion reactor with a 80% Ethylene conversion
and a stoichiometry that represents a K=Cn+2/Cn=0.65 to represent the complex three-phase reators.
The oligomer phase is distilled to recycle the unreacted Ethylene. After a water-wash to remove
the remaining solvent, the oligomers are distilled in a direct sequence. Purity of the final
products are as per Shell NEODENE® product specifications.
Source: http://www.chemsep.org/ preview... |
| Lonza Extractive Distillation separation of 4-Picoline from side-product 2,6-Lutidine using a Top-Split Dividing Wall Columns | ||
|
4Picoline_ChERD123p120.fsd
|
COFE, ChemSep, COUSCOUS |
Lonza Extractive Distillation separation of 4-Picoline from side-product 2,6-Lutidine using a
Top-Split Dividing Wall Columns as described in
Staak and Gruetzner, Process integration by application of an extractive dividing-wall column: An industrial case study ChERD 123 (2017) pp. 120-129.
This is an extractive distillation of a close-boiling zeotropic ternary mixture using Ethylene Glycol as extractive agent. This can be done in a single column under vacuum conditions.
Source: http://www.chemsep.org/ preview... |
| Butene Metathesis | ||
|
Butene-Metathesis.fsd
|
COFE, ChemSep, COUSCOUS, CORN |
Butene Metathesis as described in
Optimization and Control of Propylene Production by A. Andrei and S Bildea, Processes 2023, 11(5), p. 1325.
Using a fixed conversion reactor the Butene metathesis to Propylene and 3-Hexane is simulated, providing a route to more Propylene from
refinery feed. Note that the 3-Hexene can be used to generate high RON alkylates or isomerized to produce 1-hexene, a valuable alpha-olefin.
The column pressures were optimized differently than described in the article. Except for the deethenizer, all condensers are designed
to operate with cooling water and the process temperatures are set at 40 C. The numbers of stages and Reflux Ratio were set as per
FUG analysis using a 1.2 RR/RRmin and a 99% purity for the C5= and C6=. The DeC3= column was sized to produce polymer grade Propylene of
99.8%. Similarly, the Ethyelne purity is 99.5% to produce polymer grade Ethylene. On all purities we added a small margin for control and fluctuations.
Source: http://www.chemsep.org/ preview... |
| Membrane process for carbon dioxide separation | ||
|
CO2_separator.fsd (32 kB)
|
COFE, COUSCOUS, TEA, SciLab Unit Operation | The example is from Development of a membrane process in CAPE-OPEN to CAPE-OPEN
(COCO) simulator for carbon dioxide separation, Y. Alqaheem and M. Alobaid, Results in Engineering 22 (2024) 102239.
A non-isothermal membrane module for CO2 separation using Scilab CAPE-OPEN Unit Operation. Membrane area and permeance for each compound are input parameters.
The module calculates permeate/retentate flowrate and composition.
preview... |
