MoziThermoFlash

MoziThermoFlash is a TypeScript VLE toolkit for common flash and phase-equilibrium calculations on multi-component mixtures. It is designed to work with mozithermodb model sources and supports both class-based and wrapper-style APIs.

✨ Features

• ✅ Bubble-point pressure
• ✅ Dew-point pressure
• ✅ Bubble-point temperature
• ✅ Dew-point temperature
• ✅ Isothermal flash
• ✅ Flash feasibility check (is_flashable)
• ✅ Raoult and modified-Raoult workflows
• ✅ Optional activity-model hooks (NRTL/UNIQUAC runtime inputs)

📦 Installation

npm install mozithermoflash

🧱 Core Idea

This package expects a model_source containing:

• dataSource
• equationSource

In this repo, those are created in example files like:

• examples/model-source-1.ts
• examples/model-source.2.ts

🚀 Usage Patterns

Two styles are used in this project:

1. VLE class methods (from src/docs/vle.ts)
2. Core wrapper functions (from src/core/main.ts)

Class API (VLE)

• bubble_pressure(...)
• dew_pressure(...)
• bubble_temperature(...)
• dew_temperature(...)
• flash_isothermal(...)
• is_flashable(...)

Wrapper API

• calc_bubble_point_pressure(...)
• calc_dew_point_pressure(...)
• calc_bubble_point_temperature(...)
• calc_dew_point_temperature(...)
• calc_isothermal_flash(...)
• is_flashable(...)

🧪 Examples

Run examples with tsx:

npx tsx examples/bubble-point-pressure.ts
npx tsx examples/dew-point-pressure.ts
npx tsx examples/bubble-point-temperature.ts
npx tsx examples/dew-point-temperature.ts
npx tsx examples/flash-isothermal.ts

Other useful example files:

• examples/activity-factory.ts (activity model factory pattern)
• examples/matrix-model-source.ts (binary-mixture matrix datasource pattern)

🧠 Notes

• Inputs in examples are provided as [value, unit] tuples (for temperature/pressure).
• Component IDs in examples follow Name-State (e.g., benzene-l).
• For modified-Raoult runs, activity parameters are passed via kwargs (activity_inputs, activityFactory, or explicit activity_coefficients).

📄 License

Licensed under the Apache-2.0 License. See LICENSE.

❓ FAQ

For questions, contact Sina Gilassi on LinkedIn.

👨‍💻 Author

• @sinagilassi