Assess separation feasibility for a mixture by retrieving VLE/relative volatility, checking for azeotropes, and estimating minimum reflux/stages with Paramus property and separation tools, then flagging whether simple distillation is viable.When to use: a user asks “can I separate this mixture by distillation, and roughly how?”.Multi-tool WORKFLOW with separations judgment.
Paramus — Distillation Feasibility Screen
Overview
Check whether a mixture can be separated by distillation: relative volatility, azeotrope detection, and rough minimum reflux/stages. The value is the feasibility verdict + separations judgment, not a single VLE point.
Guidance vs execution: VLE and volatility come from tested Paramus property tools. Do not estimate azeotropes or reflux by hand.
When to Use
- Early "is distillation viable for this mixture?" screening
- Ranking separation difficulty across candidate mixtures/cuts Do not use for: rigorous column design/rating (hand off to the process simulation engine).
Workflow
Mixture + composition + target split + conditions
↓ 1. Resolve components & VLE model → Paramus property engine
↓ 2. Relative volatility → across composition range
↓ 3. Azeotrope check → detect & locate azeotropes
↓ 4. Minimum reflux / stages est. → shortcut methods (e.g. Fenske/Underwood-style)
↓ 5. Feasibility verdict & report → viable? difficulty + caveats + provenance
Procedure
- Discover tools via
search/get_schema("vapor liquid equilibrium", "relative volatility", "shortcut distillation"). - Resolve components; select a VLE model suited to the mixture (state it).
- Compute relative volatility across the composition range.
- Detect azeotropes that would block the target split.
- Estimate minimum reflux/stages with shortcut methods; report feasibility + difficulty + caveats.
Domain Judgment
- α near 1 or an intervening azeotrope → simple distillation likely infeasible; say so and suggest alternatives (extractive, pressure-swing).
- Shortcut estimates are order-of-magnitude — never present them as a design.
- State the VLE model and its validity; non-ideal mixtures need activity-coefficient models.
Fallbacks
- Shortcut/separation tool unavailable → deliver volatility + azeotrope screen only, clearly scoped.
- Endpoint unreachable → stop and report; no local VLE estimates.
Tools this skill may use
Candidate deterministic tools an agent is likely to route to when running this skill. The skill decides which to call at runtime.
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Brain HPC Dwsim Flash
EngineeringPerform flash calculations (VLE, LLE, VLLE) for multicomponent mixtures using DWSIM -
Get Phase
ThermodynamicsIdentify phase of fluid (liquid, gas, supercritical, two-phase) -
Calculate Phase Change Properties
ThermodynamicsCalculate phase change enthalpies including heat of vaporization (Hvap), heat of fusion (Hfus), and heat of sublimation (Hsub) at a specified temperature. These properties are crucial for energy balance calculations in separation processes and phase transitions. -
Get Phase Change Temperature
ThermodynamicsUse when determining operating temperature ranges or designing separation processes.
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