Paramus — Polymer Solubility & Solvent Selection

Overview

Estimate the polymer's solubility parameters, compare against a candidate solvent set, and rank solvents by predicted compatibility. The value is the polymer↔solvent matching rule, not a single parameter lookup.

Guidance vs execution: solubility parameters and property estimates come from tested Paramus tools. Do not hand-estimate Hansen parameters in ad-hoc code.

When to Use

• "What solvent dissolves this polymer?" / "Which solvent is safest & effective?"
• Screening plasticizer or co-solvent compatibility Do not use for: full thermodynamic phase-equilibrium modeling (hand off to the relevant engine).

Workflow

Polymer structure + candidate solvent list (or "suggest") + constraints (green, bp, toxicity)
  ↓ 1. Estimate polymer solubility params  → Paramus solubility-parameter tool (Hansen/Hildebrand)
  ↓ 2. Get/estimate solvent params          → Paramus data/property tools
  ↓ 3. Compute match distance               → Hansen distance Ra / Hildebrand Δδ
  ↓ 4. Apply constraints                     → filter by bp, toxicity, green-solvent criteria
  ↓ 5. Rank & report                         → ranked solvents + match metric + provenance

Procedure

1. Discover tools with search/get_schema ("Hansen solubility parameters", "solvent properties").
2. Estimate the polymer's parameters; capture method + uncertainty.
3. Obtain solvent parameters for the candidate set (or a standard solvent library if "suggest").
4. Compute the match metric (Hansen distance preferred); smaller = better predicted solubility.
5. Apply user constraints as filters, not silent drops — report what each filter removed.
6. Rank surviving solvents; report match metric, constraint compliance, and confidence.

Domain Judgment

• "Like dissolves like" is a prediction, not a guarantee — flag borderline matches for a lab check.
• Respect hard constraints (toxicity, regulatory) as gates over a good match score.
• Prefer green/low-hazard solvents among near-equivalent matches; say when you did.

Fallbacks

• Solvent parameters missing for a candidate → mark it "unscored", don't drop silently.
• Endpoint unreachable → stop and report; no local parameter estimation.