tpt-process

A fully open-source, MIT-licensed computational engine for chemical and process engineering: thermodynamics, fluid flow, heat transfer, separations, and reaction engineering.

100% Open Source. Chemical & Process Engineering Without Vendor Lock-in. No GPL Traps. No Desktop Monopolies.

5-Minute Quickstart

Create a project and depend on the suite (published to crates.io at the next release; until then use the git dependency):

# Cargo.toml
[dependencies]
tpt-proc-core = { git = "https://github.com/tpt-solutions/tpt-process" }
tpt-proc-thermo-core = { git = "https://github.com/tpt-solutions/tpt-process" }
tpt-proc-thermo-database = { git = "https://github.com/tpt-solutions/tpt-process" }
tpt-proc-thermo-eos = { git = "https://github.com/tpt-solutions/tpt-process" }
tpt-proc-thermo-phase = { git = "https://github.com/tpt-solutions/tpt-process" }

Paste this into src/main.rs — a Peng-Robinson flash of a 50/50 water/methanol feed at 350 K, 1 atm:

use std::sync::Arc;

use tpt_proc_core::Composition;
use tpt_proc_thermo_core::PropertyPackage;
use tpt_proc_thermo_database::ChemicalDatabase;
use tpt_proc_thermo_eos::CubicEos;
use tpt_proc_thermo_phase::FlashSolver;

fn main() {
    let db = ChemicalDatabase::builtin();
    let components = db.components_for(&["water", "methanol"]).unwrap();
    let eos = CubicEos::peng_robinson(components.clone());
    let package = PropertyPackage::new(components).unwrap().with_eos(Arc::new(eos));
    let flash = FlashSolver::new(package);

    let feed = Composition::from_mole_fractions(&[0.5, 0.5]).unwrap();
    let result = flash.pt_flash(&feed, 350.0, 101_325.0).unwrap();

    println!("Vapor fraction: {}", result.vapor_fraction);
    println!("Vapor composition: {:?}", result.vapor_composition.as_slice());
}

cargo run
# Vapor fraction: 0.55…

Prefer no Rust at all? The tpt-proc CLI runs a TOML-described flowsheet — mixers, splitters, flash drums, heaters, valves, pumps with recycles — see crates/cli/tpt-proc. Worked Rust examples live in examples/:

git clone https://github.com/tpt-solutions/tpt-process
cd tpt-process
cargo run --release -p example-flash-calculation

Why?

Commercial process simulators (Aspen HYSYS, Aspen Plus, ChemCAD, PRO/II, gPROMS) cost $30k–$100k+ per seat, are closed-source, and lock your property data behind recurring license fees. tpt-process breaks all three locks:

• Pure Rust — fast enough for real-time control, safe enough for long dynamic simulations, deterministic enough for auditable designs.
• Open databank — a built-in chemical database that is a public good, not a ransom.
• WebAssembly — flash calculations, heat exchanger ratings, and distillation shortcuts run in the browser or on edge controllers.
• Strict permissive license chain — MIT OR Apache-2.0 end to end, with cargo deny enforcement so no copyleft dependency can ever enter the tree.

Crates

Status tiers reflect real coverage, not aspiration: ✅ Stable = the implemented physics is textbook-benchmarked and the API is settled; 🧪 Beta = solid for pre-design but model coverage is narrower than the domain (see each crate's README "Scope and limitations"); 🚧 Alpha = under active development; 🔗 Integration = bridges into the other TPT substrate repositories, workspace-only (git dependency, never on crates.io).

Crate	Description	Status
tpt-proc-core	Core stream and unit types	✅ Stable
tpt-proc-topology	PFD graph analysis, recycles, tear streams	✅ Stable
tpt-proc-units	Unit operation scaffolding, mixer/splitter	✅ Stable
tpt-proc-thermo-core	Property package framework	✅ Stable
tpt-proc-thermo-eos	Peng-Robinson, SRK equations of state	✅ Stable
tpt-proc-thermo-activity	Wilson, NRTL, UNIQUAC, UNIFAC	✅ Stable
tpt-proc-thermo-phase	Flash calculations, VLE, bubble/dew point	✅ Stable
tpt-proc-thermo-database	Built-in chemical database (51 components, sourced + gated)	✅ Stable
tpt-proc-fluid	Pipe flow, Darcy-Weisbach, Colebrook-White	✅ Stable
tpt-proc-pumps	Pump curves, operating point, affinity laws	✅ Stable
tpt-proc-compressors	Isentropic/polytropic compression	✅ Stable
tpt-proc-valves	Cv/Kv sizing, inherent characteristics	✅ Stable
tpt-proc-network	Hardy Cross, Newton-Raphson, Linear Theory	✅ Stable
tpt-proc-heat-transfer	Convection correlations, Nusselt number	✅ Stable
tpt-proc-heat-exchangers	LMTD, NTU-effectiveness, rating/sizing	✅ Stable
tpt-proc-heat-network	Pinch analysis, composite curves, HEN	✅ Stable
tpt-proc-fired-equipment	Furnaces and fired heaters	✅ Stable
tpt-proc-distillation	McCabe-Thiele, FUG, rigorous MESH	✅ Stable
tpt-proc-absorption	Kremser absorption/stripping	✅ Stable
tpt-proc-reaction	Kinetics: Arrhenius, power law, LHHW, Michaelis-Menten	✅ Stable
tpt-proc-mass-balance	Balances and data reconciliation	✅ Stable
tpt-proc-optimization	Golden section, Nelder-Mead, gradient	✅ Stable
tpt-proc-hvac	Psychrometrics and air systems	✅ Stable
tpt-proc-economics	CAPEX/OPEX, NPV/IRR, levelized cost	✅ Stable
tpt-proc-database	General process data store	✅ Stable
tpt-proc-extraction	Liquid-liquid extraction	🧪 Beta
tpt-proc-membranes	Solution-diffusion membrane separations	🧪 Beta
tpt-proc-crystallization	Cooling crystallization, MSMPR	🧪 Beta
tpt-proc-reactors	Steady-state CSTR and PFR	🧪 Beta
tpt-proc-catalysis	Effectiveness factor, deactivation	🧪 Beta
tpt-proc-flowsheet	Sequential-modular solver, tear streams + Wegstein	🧪 Beta
tpt-proc-energy-balance	Energy accounting and utility summary	🧪 Beta
tpt-proc-water	Water treatment train simulation	🧪 Beta
tpt-proc-pharma	Pharmaceutical batch processes	🧪 Beta
tpt-proc-refining	Refining stream characterization	🧪 Beta
tpt-proc-hydrogen	Electrolysis, SMR, ATR	🧪 Beta
tpt-proc-dynamics	Dynamic simulation, FOPDT, integrators	🧪 Beta
tpt-proc-control	PID control and tuning	🧪 Beta
tpt-proc-pfd	PFD representation and export (SVG/DOT/Mermaid)	🧪 Beta
tpt-proc (CLI)	Config-driven flowsheet runner (TOML → JSON)	🧪 Beta
tpt-proc-wasm	WebAssembly bindings	🚧 Alpha
tpt-proc-energy	Pinch targets → tpt-energy system models	🔗 Integration
tpt-proc-materials	Streams → tpt-materials compositions	🔗 Integration
tpt-proc-construction	PFD → tpt-construction site/project	🔗 Integration

Every crate has its own README.md (with scope-and-limitations) and CHANGELOG.md alongside its sources under crates/.

Governance

• License: MIT OR Apache-2.0 (dual). Contributions are DCO-signed and CLA-free.
• Releases: SemVer, 6-week cadence.
• Decisions: Benevolent Dictator + public RFC process for new unit operations and thermodynamic models.
• Security: see SECURITY.md for private disclosure.

The Process Connector

tpt-process is the flowsheet brain of the TPT ecosystem. Live integration crates (in crates/integration/, pinned to the substrate repositories) connect the domains today:

• tpt-proc-energy → tpt-energy: pinch utility targets become electrical loads and CHP capacity on an EnergySystem power-flow model.
• tpt-proc-materials → tpt-materials: species mixtures translate to elemental Compositions, with an NMC hydroxide precursor process design feeding battery work.
• tpt-proc-construction → tpt-construction: PFD units export as deterministic Site/Element records for plant layout.
• tpt-medical ← pharmaceutical batch processes — planned; awaiting code in the counterpart repository.

Validation

Solver results are checked against golden reference files in test-data/golden/ and against public benchmarks (DIPPR, NIST, AIChE, API, ASHRAE). See CONTRIBUTING.md for the verification & validation policy.

License

Licensed under either of

• MIT license (LICENSE-MIT)
• Apache License, Version 2.0 (LICENSE-APACHE)

at your option.

Unless you explicitly state otherwise, any contribution intentionally submitted for inclusion in the work by you, as defined in the Apache-2.0 license, shall be dual licensed as above, without any additional terms or conditions.