Real flowsheets, already solved
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Flue-gas CO2 capture by solid-sorbent adsorption
A generic solid-sorbent (zeolite-13X-class) adsorption capture step on real combustion flue gas (13 mol% CO₂ — typical of a natural-gas- or coal-fired flue gas, a much higher CO₂ partial pressure than direct-air-capture's ~400 ppm case, which is why this uses the existing Adsorption unit op's real competitive-Langmuir isotherm directly on the flue-gas stream rather than the fixed-recovery separator shortcut the existing DAC examples use). Adsorption-based flue-gas capture is a real, generically licensed technology category (Linde's HISORP CC targets exactly this application); the isotherm parameters here are representative order-of-magnitude values for a zeolite-13X-class sorbent's CO₂/N₂/O₂/H₂O selectivity (real published 13X studies show CO₂ adsorbing roughly an order of magnitude more strongly than N₂/O₂, and water more strongly still, competing for capacity), not pinned to one specific cited paper's exact figures — disclosed as representative, matching MaximaLabs's convention when a precise source isn't confidently pinnable, rather than presenting invented precision. Adsorbent inventory (adsorbent_mass) is sized to a real, honest ~96% CO₂ capture rate — not assumed/rounded to a marketing-friendly number.
4 unit ops • PENG-ROBINSON
132 2
View & openBlue hydrogen with rigorous amine capture (multi-thermo)
The blue-hydrogen train done properly: steam-methane reforming and water-gas-shift run on a cubic gas EoS (Peng-Robinson), while the CO₂ capture runs on the rigorous electrolyte amine package (MDEA/piperazine 'enrtl-mdea-pz') — two thermo methods in one flowsheet, via per-node thermo_overrides. This is what legacy tools do with a property-method 'section' and what the plain 'blue-hydrogen-smr-ccs' showcase couldn't (one package per flowsheet forced a component-separator stand-in for the capture). Here the shifted syngas is contacted with a lean MDEA/PZ solvent in an absorber that removes the CO₂ by real reactive equilibrium (H₂/CO/CH₄ pass through as insoluble gases), delivering ~94% H₂ with the CO₂ driven to trace and a rich amine at a realistic ~0.7 mol CO₂/mol amine loading.
11 unit ops • PENG-ROBINSON
169 6
View & opene-Fuels (Power-to-Liquids): rWGS + Fischer-Tropsch
The Power-to-Liquids / e-SAF pathway: captured CO₂ and green hydrogen are converted to synthetic hydrocarbons. A reverse water-gas-shift reactor turns CO₂ + H₂ into CO + H₂O (solved to real chemical equilibrium), the water is knocked out, and the syngas feeds a Fischer-Tropsch reactor that builds a whole hydrocarbon slate via the Anderson-Schulz-Flory chain-growth law. The single knob that sets the product spectrum is the chain-growth probability alpha (here 0.90): a high alpha shifts the slate toward diesel/wax, a low alpha toward LPG/naphtha — the reactor distributes the reacted carbon across n-paraffins C₁..C₈ (the tail lumped as C₈ wax) with exact C/H/O atom balances, so it conserves atoms wherever the distribution is cut.
8 unit ops • PENG-ROBINSON
168 1
View & openRate-based reactive amine absorber (packed, MDEA/PZ)
A packed acid-gas absorber sized the way ChemSep / Aspen RateSep size one — by real mass-transfer rate over a PACKED HEIGHT, not an assumed stage count. Sour gas (CO₂ + H₂S in methane) contacts a piperazine-promoted MDEA solvent in a structured-packed column, and the recovery of each acid gas is set by three coupled pieces of physics: the Onda-Takeuchi-Okumoto (1968) gas/liquid film coefficients and wetted area over the packed height (the rate), a reaction-enhancement factor on the liquid film from the Hatta number (the reaction speeding up liquid-side transfer), and the reactive vapor-liquid equilibrium from the electrolyte 'enrtl-mdea-pz' package (the capacity). The result is a genuine design curve: CO₂ recovery climbs from ~85% at 0.3 m of packing to pipeline spec by ~1.5 m (5 ppm CO₂, 3 ppm H₂S) — run the built-in packed-height sweep to see it. A revealing rate-based insight the equilibrium-stage shortcut can't give: the fast amine reaction makes the liquid resistance negligible, so this absorber is gas-film-controlled — recovery barely moves with solvent rate but scales directly with packed height.
5 unit ops • ENRTL-MDEA-PZ
168 1
View & openBlue hydrogen: SMR + water-gas-shift + CO2 capture
A low-carbon (blue) hydrogen train: steam-methane reforming converts natural gas + steam to syngas (CH₄ + H₂O <=> CO + 3H2) at 1123 K, a water-gas-shift reactor converts the CO with more steam to extra H₂ + CO₂ (CO + H₂O <=> CO₂ + H₂), the gas is cooled, the process water knocked out, and 96% of the CO₂ is captured as a pure stream for sequestration/EOR (the CCS that makes the hydrogen 'blue'). Both reactors are solved to real chemical equilibrium (partial-pressure basis) rather than a fixed conversion.
10 unit ops • PENG-ROBINSON
169 1
View & openHigh-recycle ammonia loop (equation-oriented)
A tight, high-recycle ammonia synthesis loop built to show why a modern simulator solves recycles the way legacy sequential-modular tools can't. Fresh syngas (N₂ + 3H2, with argon inert) mixes with a large recycle, reacts to only ~10% per pass, chills so ammonia condenses out as product, and the unreacted gas recycles — a recycle-to-fresh ratio of ~5:1, with argon building up until a small purge balances it. Run this in Equation-Oriented mode (Solver menu > Mode > Equation-oriented). In the default sequential-modular mode the solver tears the recycle and iterates Wegstein ~78 times to close the loop; the equation-oriented solver instead makes every inter-unit stream a global unknown and closes all ~35 of them in one simultaneous Newton solve — the same simultaneous approach AVEVA SimCentral / gPROMS / IDAES use, and the reason tightly coupled recycles that crawl (or stall) in sequential-modular converge cleanly here.
8 unit ops • PENG-ROBINSON
167 2
View & openaMDEA closed solvent loop (activated-MDEA acid-gas removal)
The activated-MDEA (aMDEA) acid-gas removal process BASF developed at Ludwigshafen — methyldiethanolamine promoted with piperazine — run as a genuinely CLOSED solvent loop: the regenerated lean amine is cooled, pumped back to absorber pressure and returned to the absorber, with a small side bleed and a demin-water/amine makeup. The companion 'mixed-amine-acid-gas-treating' showcase deliberately leaves that loop open (the regenerated solvent is a product); closing it is what this example adds, and it changes what the model can tell you. Sour gas at 50 bar (5% CO₂, 3% H₂S in methane) is contacted with lean solvent; the rich amine is heated, let down to 1.8 bar and stripped; the lean solvent returns through a cooler and a pump; a 3% bleed purges degradation products; makeup replaces what leaves. One Wegstein tear on the lean stream closes it. The headline result is one no open-loop model can produce: the lean-solvent composition is not specified anywhere in the flowsheet — it is the fixed point of the loop's own water and amine balance — and it converges to 87.7 mol% water / 10.2% MDEA / 2.0% piperazine, which is 41 wt% MDEA and 5.9 wt% PZ (about 3.6 and 0.7 mol/L at a typical 1.04 g/cm3 solvent density), inside the concentration window BASF's own aMDEA patents claim. Also computed: 114 mol/s of circulating solvent for 100 mol/s of sour gas, a rich loading of 0.36 mol CO₂ + 0.21 mol H₂S per mole of amine, treated gas that is pure methane, a 39 mol/s acid-gas overhead, and 0.23% hydrocarbon slip into it. Sweeping the stripping steam traces the loop's water balance: more steam carries more water overhead, so the circulating inventory shrinks from 225 to 53 mol/s across the sweep — a closed-loop coupling that simply does not exist in an open-loop model. Balance closure is the precondition for an acceptance test under VDI 2048 (control and quality improvement of process data by correction calculation, for operation and acceptance tests in energy technology and the chemical industry); the same variance-weighted least-squares correction that standard is built on is available on solved results through the data-reconciliation tool.
14 unit ops • ENRTL-MDEA-PZ
18 0
View & openRefinery acid-gas treating: MDEA/PZ absorber-stripper
Simultaneous CO₂ AND H₂S removal from a sour natural-gas / refinery off-gas stream by a piperazine-promoted MDEA solvent — the mixed-amine chemistry legacy tools reach for heavy rate-based/OLI add-ons to model. A high-pressure absorber contacts the sour gas with lean MDEA/PZ solvent (both acid gases absorb into the amine); the rich amine is heated and let down to a low-pressure steam stripper that drives the acid gases back off as a concentrated acid-gas stream and regenerates the lean solvent. Runs on the new 'enrtl-mdea-pz' electrolyte package: a generalized speciation (MDEA protonation + piperazine carbamate/dicarbamate + CO₂/HCO₃-/CO₃-- + H₂S/HS- + water) with Davies activity — it correctly reproduces piperazine's promotion (the blend holds more CO₂ at a given partial pressure than MDEA alone).
10 unit ops • ENRTL-MDEA-PZ
167 3
View & openOn-site oxygen: multi-bed vacuum pressure swing adsorption (VPSA)
Medical- / green-steel-grade oxygen generated on site from air by a 4-bed vacuum pressure swing adsorption unit over an N₂-selective zeolite (LiX/13X). This uses the native VPSA unit op — the proven 2-bed Skarstrom engine generalized to N beds with pressure-equalization steps and sub-atmospheric evacuation: nitrogen is adsorbed while oxygen passes as the light product, then each bed is pulled to a vacuum to desorb the nitrogen tail gas. The solver runs the real cyclic transient (tanks-in-series bed discretization + linear-driving-force kinetics + inter-bed equalization) to a periodic steady state — the transient dynamic equilibrium legacy steady-state simulators cannot capture without a separate dynamic license.
4 unit ops • PENG-ROBINSON
166 0
View & openSolid-sorbent fluidized-bed DAC with compression heat recovery
A second, lower-temperature DAC pathway alongside the liquid-KOH + rotary-kiln example: the captured CO₂ loads onto a solid sorbent, which regenerates in an indirectly-heated fluidized bed (real Wen-Yu minimum-fluidization sizing + Arrhenius desorption kinetics, the FluidizedBed) at 120 degC — the real low-temperature regime solid amine/physisorbent DAC sorbents actually use, versus the other example's ~977 degC calcination. The bed is fluidized by a recycled CO₂ sweep (self-sweep with product gas, a real design choice that sidesteps needing a steam-condensate knockout step). The desorbed CO₂ is compressed toward liquefaction pressure in one adiabatic stage — hot enough (~780 K discharge) that routing it through a heat exchanger against process utility water genuinely converts that water from subcooled liquid to a boiling mixed-phase stream before the CO₂ continues on to the same real liquefaction physics as the other DAC example.
14 unit ops • COOLPROP
165 0
View & openDirect air capture with solid-sorbent calcination + CO2 liquefaction
A Carbon Engineering-style DAC train: a fan draws ambient air (400 ppm CO₂) through a liquid-KOH contactor (a fixed-recovery separator — the same simplification the existing carbon-capture example uses for chemical absorption, since no CO₂-KOH electrolyte package exists) capturing ~75% of the CO₂. The captured CO₂ is causticized and precipitated into CaCO₃ pellets by the real (unmodeled-in-detail) KOH/Ca(OH)2 loop — represented here as a matched pellet feed sized to the captured CO₂ rate, since the generic reactor unit op can't itself produce a solid product (only a rotary kiln's decomposition path can, which is exactly what's used next). Those pellets calcine at ~977 degC in an indirectly-heated rotary kiln (real Arrhenius decomposition kinetics, Sullivan-Maynard-Valentine residence time), releasing pure CO₂ that's compressed to ~20 atm and chilled to 250 K — above the real Span-Wagner CO₂ saturation pressure at that temperature, so the solved outlet stream is genuine subcooled LIQUID CO₂ (not just dense-phase pipeline gas) — while the CaO leaves for slaking and reuse (the lime side of the closed loop, out of scope for the same reason as the causticization step). Run the Carbon Footprint report on this example for the real Scope 1/2/3 CO2e + carbon-tax liability breakdown already built into MaximaLabs's report generator.
12 unit ops • COOLPROP
168 1
View & openLOHC hydrogen release (methylcyclohexane dehydrogenation)
A liquid organic hydrogen carrier (LOHC) power train: methylcyclohexane (MCH) is preheated and catalytically dehydrogenated (MCH → toluene + 3H2, endothermic, equilibrium-limited to ~90% single-pass conversion) to release hydrogen for downstream power generation. A flash drum separates the H₂-rich gas from the liquid; a distillation column then recovers the unreacted MCH overhead and recycles it to the reactor feed, closing a real tight liquid recycle loop, while spent toluene leaves the bottoms (to be re-hydrogenated back to MCH off-site, closing the supply-chain loop — out of scope for this dehydrogenation-side flowsheet). Screening-fidelity note: MCH and toluene are genuinely close-boiling (relative volatility ~1.4 under this thermo package at column conditions), so the recycle carries real toluene along with the recovered MCH rather than a sharp cut — a production column would use more stages to purify it further; this shows the recycle topology and its convergence, not an optimized column design.
8 unit ops • PENG-ROBINSON
168 0
View & openAmmonia cracking + H2 purification
Green ammonia is a widely proposed hydrogen carrier for shipping — easier to liquefy and transport than liquid H₂ itself, then cracked back to H₂ at the point of use. A fixed-conversion reactor dissociates NH₃ (2 NH₃ → N₂ + 3 H₂, endothermic, 99% conversion at a typical 600 C cracking-furnace outlet) and the cracked gas is polished by an adsorption stage to fuel-cell-grade H₂.
5 unit ops • PENG-ROBINSON
166 0
View & openAmmonia synthesis loop (Haber-Bosch, ChemSep casebook)
The classic industrial ammonia loop: fresh syngas joins recycled unconverted gas, reacts over an equilibrium reactor (N₂ + 3H₂ ⇌ 2NH₃) at synthesis conditions, is chilled to condense high-purity liquid ammonia, and the remaining vapor splits into a recycle (back to the loop) and a purge — the purge exists specifically to bleed off the inert argon a single-pass reactor could never consume, which would otherwise concentrate in the recycle forever.
9 unit ops • PENG-ROBINSON
165 0
View & openGreen urea synthesis
Green ammonia and captured CO₂ react over a single-pass stoichiometric reactor (2NH₃ + CO₂ ⇌ CO(NH₂)₂ + H₂O) at synthesis-loop conditions — the fertilizer step downstream of green ammonia. Screening fidelity: a real plant recycles the unconverted carbamate/excess ammonia to push per-pass yield well above this single-pass conversion; that recycle isn't modeled here.
3 unit ops • PENG-ROBINSON
168 0
View & openSolar + wind green H₂ → CO₂ methanation
A solar PV array and a wind turbine each compute their own electrical output from a cited irradiance/power-curve model — not typed-in numbers — and a calculator block sums the two and writes it into a PEM electrolyzer's power draw, re-converging until the electrolyzer's hydrogen output is self-consistent with the array's own physics. That green H₂ is mixed with a CO₂-rich feed (representing the rich overhead of an amine-capture loop, e.g. basf-amdea-closed-solvent-loop or mixed-amine-acid-gas-treating — captured CO₂ standing in as a feed rather than re-solving the whole capture train here) and reacted to synthetic natural gas by the Sabatier reaction, same as co2-methanation. This is the full post-combustion-capture-plus-renewable-hydrogen loop: capture the carbon, split water with sun and wind, recombine them into pipeline-ready gas. CO₂ is deliberately fed in stoichiometric deficit so the electrolyzer's own H₂ output — not an assumed ratio — sets how much gas is made; the solar/wind design point (750 W/m² POA irradiance at 45°C cell temperature; a 9 m/s wind on a 100 m rotor) is a representative midday operating point, not a time series — this is a design-point simulation, not an 8760-hour production model.
13 unit ops • PENG-ROBINSON
1 1
View & openCO₂ methanation (e-fuels / power-to-gas)
The Sabatier reaction (CO₂ + 4H₂ ⇌ CH₄ + 2H₂O) converts captured CO₂ and green H₂ into synthetic natural gas at a 97% single-pass-equivalent conversion (real plants stage several adiabatic beds with intercooling to reach this; lumped into one reactor here), then a cooler and knockout drum condense the reaction water from the SNG — the e-fuels loop that closes the loop on captured carbon instead of just storing it.
6 unit ops • PENG-ROBINSON
165 0
View & openDense-phase CO₂ pipeline transport
Supercritical/dense-phase CO₂ loses pressure to pipe friction over a 150 km trunk-line run, gets restored by an intermediate pump station (the fluid stays liquid-like above its critical pressure, so this is a pump — not a compressor), then runs a second 150 km segment — the CCUS transport leg between capture and injection.
5 unit ops • PENG-ROBINSON
166 1
View & openHigh-CO2 LNG with amine capture and CO2 reinjection
One 5.3 Mtpa LNG train on a reservoir whose gas is 14 mol% CO₂, where the CO₂ is not vented but compressed to dense phase and injected — 2.8 Mtpa of it, at 200 bar, which is the scale that makes this a storage project rather than a gesture. Two things make this different from every other LNG example here. First, the acid-gas removal is real chemistry, in the same flowsheet as the cryogenics: per-node thermo_overrides run the absorber, the rich/lean loop and the stripper on the 'enrtl-mdea-pz' electrolyte package (MDEA protonation + piperazine carbamate/dicarbamate speciation) while the gas train and the cold end run Peng-Robinson — the amine unit and the MCHE are not two models bolted together, they are one solve. Second, the CO₂ goes somewhere: the stripper overhead is knocked back, two-stage compressed with interstage cooling and drying, and pumped to 200 bar as a ~96 mol% dense-phase stream ready for a reinjection well, rather than leaving as a vent. The sweet gas is water-washed, dried and liquefied in the C3MR cold end to LNG at ~116 K.
32 unit ops • PENG-ROBINSON
51 0
View & openCO₂ capture + compression
Post-combustion capture recovers 90% of the flue CO₂, then a compressor and after-cooler condition it to pipeline pressure for storage/EOR — the real energy cost after capture.
6 unit ops • PENG-ROBINSON
165 1
View & open10 MW PEM electrolyzer loop
A pilot-scale green-H₂ plant: water is pressurized and split in a rigorous PEM cell (Butler-Volmer + Nernst), drawing ~10 MW at a realistic ~1.9 V cell voltage.
4 unit ops • NRTL
169 2
View & openGreen ammonia synthesis
An equilibrium reactor runs N₂ + 3H₂ ⇌ 2NH₃ on green-hydrogen syngas (Keq illustrative) — the new-energy leapfrog workflow.
3 unit ops • PENG-ROBINSON
166 0
View & openSour-gas sweetening — six-category footprint
A fuel-fired feed-gas heater, acid-gas removal, and a VOC purge — vented to atmosphere — so the Sustainability panel shows all six impact categories at once: carbon, water, acidification (vented H₂S/NH₃ + combustion NOx), eutrophication (NH₃ + NOx), photochemical ozone (vented benzene) and cumulative energy demand. Illustrative screening vent compositions — a real plant Claus/incinerates the H₂S and controls the VOC rather than venting; the point is to exercise the multi-category footprint on a process that genuinely carries these species. Spec-based separators, so it converges fast and conserves mass.
10 unit ops • PENG-ROBINSON
152 0
View & openPost-combustion CO₂ capture
A separator recovers 90% of the CO₂ from a flue-gas stream — the sustainability layer then tracks the captured tonnes.
4 unit ops • PENG-ROBINSON
166 2
View & openGreen hydrogen (electrolysis)
A 1 MW PEM electrolyzer splitting water into hydrogen — a new-energy workflow (carbon footprint + cost track the electricity).
3 unit ops • NRTL
165 0
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