Every chemical you can simulate
You're not limited to ethanol and water. MaximaLabs ships thousands of components — the CoolProp base set, a 2,000+ open-data databank, and petroleum cuts — and there are three simple ways to add one to your flowsheet.
Three ways to add a chemical
Pick whichever fits — they all reach the same component set.
Type it into a feed
Click a feed on the canvas to open its parameters. In the Composition (mole frac) editor, use the “add a component” box — type a name (e.g. propane), pick it from the databank autocomplete, and set its mole fraction. You are not limited to ethanol/water; the fractions should sum to 1.
Define a reusable Fluid
Simulation ▸ Fluids… lets you define a named fluid (its component list + thermodynamic package) once, then reference it from any feed. Ideal when several feeds share the same mixture — edit it in one place.
Ask the AI copilot
Type a plain-English request like “simulate a propane/butane column” into the copilot. It builds the whole flowsheet, selects the right components and thermodynamic package, and runs it — the fastest path for a brand-new process.
Molecule not in the databank? Use the Property Estimator (Joback / Ambrose-Walton) in Thermo Tools to add any molecule from its functional groups, look one up by CAS number, or upload your own component data — it then resolves on every solve.
Search the component databank
Best-supported components (rigorous CoolProp properties)
waterCarbon dioxideco2Hydrogenh2Nitrogenn2OxygenoxygenCarbon monoxidecoHydrogen sulfideh2sSulfur dioxideso2AmmoniaammoniaSulfur hexafluoridesf6AirairCarbonyl sulfidecarbonyl_sulfideNitrous oxidenitrous_oxideHydrogen chloridehydrogen_chlorideFluorinefluorineEthanolethanolMethanolmethanolAcetoneacetoneDimethyl etherdimethyl_etherEthylene oxideethylene_oxideDiethyl etherdiethyl_etherDimethyl carbonatedimethyl_carbonate1,2-DichloroethanedichloroethaneMethanemethaneEthaneethanePropanepropanen-Butanen_butaneIsobutaneisobutanen-Pentanen_pentaneIsopentaneisopentaneNeopentaneneopentanen-Hexanen_hexaneIsohexaneisohexanen-Heptanen_heptanen-Octanen_octanen-Nonanen_nonanen-Decanen_decanen-Undecanen_undecanen-Dodecanen_dodecaneCyclopentanecyclopentaneCyclohexanecyclohexaneCyclopropanecyclopropaneEthyleneethylenePropylenepropylene1-Butene1_buteneIsobuteneisobutenecis-2-Butenecis_2_butenetrans-2-Butenetrans_2_butenePropynepropyneBenzenebenzeneToluenetolueneEthylbenzeneethylbenzeneo-Xyleneo_xylenem-Xylenem_xylenep-Xylenep_xyleneArgonargonHeliumheliumNeonneonKryptonkryptonXenonxenonMethyl linoleate (biodiesel)methyl_linoleateMethyl linolenate (biodiesel)methyl_linolenateMethyl palmitate (biodiesel)methyl_palmitateMethyl stearate (biodiesel)methyl_stearateR-11 (CFC-11)r11R-12 (CFC-12)r12R-13r13R-13I1r13i1R-14r14R-21r21R-22 (HCFC-22)r22R-23r23R-32r32R-40r40R-41r41R-113r113R-114r114R-115r115R-116r116R-123r123R-124r124R-125r125R-134ar134aR-141br141bR-142br142bR-143ar143aR-152ar152aR-161r161R-218r218R-227ear227eaR-236ear236eaR-236far236faR-245car245caR-245far245faR-365mfcr365mfcR-404A (blend)r404aR-407C (blend)r407cR-410A (blend)r410aR-507A (blend)r507aRC-318rc318R-1233zd(E)r1233zd_eR-1234yfr1234yfR-1234ze(E)r1234ze_eR-1234ze(Z)r1234ze_zR-1243zfr1243zfR-1336mzz(E)r1336mzz_ePetroleum cuts (pseudo-components)
light_naphthaNaphthanaphthaKerosenekeroseneDieseldieselLight gas oillight_gas_oilHeavy gas oilheavy_gas_oilResidueresidue…plus 2,000+ more in the databank — start typing above to find yours.
Frequently asked questions
Which string do I actually type into a feed?
The `id` shown beside each name in the search above — that is the key the solver reads. The label is for people; the id is the contract.
My chemical is not in the databank. Now what?
Two routes, both in the app. Upload the properties you have (critical constants, an Antoine or DIPPR block) under Settings ▸ Component data, and they take precedence over the built-in set on the next solve. Or, if all you have is a structure, estimate the critical constants from it with the Joback / Ambrose-Walton tool in the thermodynamics panel — and treat the result as the estimate it is.
What do regressed, estimated and unusable mean on a component?
They are the three rungs of how well a record is actually backed. 431 of the 6,745 databank entries carry a regressed correlation block, so their liquid properties come from fitted data. The rest have a real critical point but no correlation block, so every liquid property is a corresponding-states estimate. And 42 — salts and ionic solids that decompose before they boil — have no real critical point at all, which means a cubic equation of state cannot run on them; they stay listed and labelled rather than quietly disappearing, because an imported flowsheet may already name one.
How wrong is an estimated component?
We measured it rather than quoting the correlations' own claims, against 62,715 experimental points from the NIST TRC ThermoML archive. Liquid viscosity from Letsou-Stiel is 69% off at the median — about twice its cited figure. Surface tension (Brock-Bird, 7%) and liquid thermal conductivity (Sato-Riedel, 11%) are genuinely screening-grade. Liquid density has no estimation fallback at all, and we report that as an open hole instead of filling it with a number we cannot defend.
Is this the same databank Aspen ships?
No, and it should not be mistaken for it. This is assembled from open data, which is why every record carries its basis. The built-in slate (water, ethanol, the light hydrocarbons, CO₂, H₂, N₂ and the rest) is different again: those run on CoolProp's reference multiparameter equations of state, not on a corresponding-states estimate.
Does the component list depend on which property package I pick?
The list does not, but the quality of the answer does. A polar or hydrogen-bonding mixture needs an activity model such as NRTL; hydrocarbons and gases belong on a cubic equation of state. The app flags an obvious mismatch before you run and offers the switch in one click.
Ready to simulate your own mixture?
Open a feed, add your components, set the conditions, and hit Run — or just describe the process to the copilot.