Scenario
Processing a polymer often starts with dissolving it — and the wrong solvent means no film, no coating, or an EHS problem. Matching solubility parameters and triaging the processing formulation finds solvents that work and fit the constraints.
Worked example. A coating polymer needs a lower-toxicity solvent that still gives a stable solution and good film formation.
Agent workflow
- Read the polymer and the processing constraints (EHS, cost, boiling point).
- Polymer solubility & solvent selection — match solubility parameters and rank candidate solvents / blends.
- Polymer formulation triage — check the candidate formulation for processing feasibility.
- Short-list solvents that dissolve the polymer and meet the constraints.
Demo output
A ranked solvent short-list with solubility-parameter match and processing notes, filtered by the EHS/cost constraints. The magic moment: a greener solvent blend matches the polymer as well as the incumbent, clearing an EHS hurdle.
Deterministic vs LLM
- Deterministic — the solubility-parameter matching and formulation triage.
- LLM — the solvent-selection narrative.
Every match is a validated calculation. The agent reads and routes; the engine decides.
Limits
Screening-level solvent guidance, not a substitute for dissolution and film-formation trials. It narrows the solvent set; the lab confirms it.
Skills orchestrated by this use case
This scenario routes an AI agent through the following curated skills.
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Polymer Solubility Solvent Selection
Polymer ChemistryRecommend and rank solvents (or flag miscibility/compatibility) for a given polymer using solubility-parameter estimation and Paramus prediction tools, matching polymer and solvent Hansen/Hildebrand parameters and screening a candidate solvent list.When to use: a user asks “what dissolves this polymer?” or “which solvent/plasticizer is compatible?”.Multi-tool WORKFLOW with a matching decision rule. -
Polymer Formulation Triage
Polymer ChemistryTriage a polymer formulation (base polymer + additives/fillers/plasticizers) for a target property profile by predicting the relevant properties, checking additive compatibility, and flagging trade-offs and risks with Paramus tools.When to use: a user gives a formulation and asks “will this hit my property targets, and what are the risks?”.Multi-tool WORKFLOW fusing several property screens.
Tools it reaches for
- Solubility-parameter matching (Hansen / RDKit)
- Polymer formulation triage
- Solvent property lookup
Browse the full deterministic layer in the tool browser.