Capability & Workflow Guide
This application is organized around the question you are trying to answer — not around the architecture of the math. Use the simplest valid model that answers your question, and escalate only when the question requires it. The guide explains why each escalation is necessary.
What are you trying to determine?
Pick your objective — the guide shows the minimum workflow required. You are never forced to start at the bottom of the modeling hierarchy.
Metric Finder
Search for the metric you need. The finder shows the primary tool, required inputs, the optional experimental route, and whether a full simulation is required.
How much model do I need?
Answer a few questions. The assistant recommends the simplest valid model — and explains why if a more sophisticated model becomes necessary.
The Full Model Workflow
The complete pipeline — but you do not have to run all of it. Click any stage to see what it needs and whether it can be used independently.
Defines the physical membrane: dimensions, density, porosity, tortuosity, pore size.
Feature Matrix
Generated from the live capability registry — it stays accurate as features are added. Click a row to open the tool.
| Metric | Primary Tool | Optional Models | Full Sim? | Calibration | Experimental |
|---|---|---|---|---|---|
| filter evaluation | Filter Evaluation | Transport property resolver | Yes | Yes | — |
| filter design | Filter Design & Evaluation | Containment engine, Transport property resolver | Yes | Yes | — |
| radiolytic h2 | Radiolysis | Filter transport | Yes | — | — |
| battery | Battery Incident Modeling | Filter transport, Battery reporting | Yes | — | — |
| permeance | Membrane Pressure-Decay Calibration | Transport property resolver | Yes | Yes | Yes |
| time lag | Time-Lag Diffusivity & Solubility | Uncertainty propagation | Yes | Yes | Yes |
| mixture | Multicomponent Mixture Permeation | Inverse fit | Yes | Yes | Yes |
| surrogate | Surrogate Gas Translation (He → H₂) | Uncertainty propagation | No | Yes | Yes |
| optimize | Design Optimization | Constraint engine | No | — | — |
| reproduce | Study Library & Reproduction | Decision evidence | No | — | — |
| generation rate | Gas Generation | Electrochemistry (Faraday) | Yes | — | — |
| peak pressure | Peak Pressure / Pressure vs Time | Adsorption, Transport, Degradation | Yes | Yes | Yes |
| gas inventory | Gas Inventory & Accumulation | Adsorption, Transport | Yes | — | Yes |
| filter count | Filter Sizing | Transient model | No | — | — |
| compare filters | Filter Comparison | Sizing model | No | — | — |
| compare membranes | Membrane / Filter Comparison | Performance model | No | — | — |
| scenario comparison | Scenario Comparison | Transient model | No | — | — |
| optimal configuration | Optimization | Sweep engine | No | — | — |
| sensitivity to parameter | Sensitivity Analysis | Coupled models | No | — | — |
| diffusion coefficient | Diffusion / Transport Coefficient | Porous-media correction | No | Yes | Yes |
| multicomponent flux | Multicomponent / Competing Transport | Adsorption coupling | No | Yes | Yes |
| geometric area | Surface Area & Geometry | Porosity correction | No | — | — |
| equivalent area | Surface-Area Equivalency | Density model | No | — | — |
| porosity effects | Membrane Structure Effects | Porosity/tortuosity correction | No | — | — |
| adsorption capacity | Adsorption Capacity (Static) | Isotherm fit | No | Yes | Yes |
| adsorption rate | Adsorption vs Time | Transport coupling | Yes | Yes | Yes |
| experimental flux | Filter Flux & Sizing Lab (Experimental) | Transient mass balance | Yes | Yes | Yes |
| calibrated parameter | Model Calibration | Optimization | No | Yes | Yes |
| experiment vs model | Experimental Validation | Simulation | Yes | — | Yes |
| technical report | Technical Report | Snapshot | No | — | — |
| reference package | Reference Packages | — | No | — | — |
| design space | Design Space Exploration | Constraint engine | No | — | — |
| verification | Calculation Verification Center | — | No | — | — |
| uncertainty | Decision Quality & Uncertainty | Uncertainty registry | No | — | — |
Capabilities
Every feature with its 'why use', 'when not to use', required/optional inputs, outputs, minimum path, and what to do next. Expand any card.
Provenance Before Calibration
Establish the Data Profile and provenance record BEFORE experimental data is used for calibration. Calibration transforms observations into parameters — both states must be preserved.
The original value is never overwritten. A new model version is created. The system can answer "What data produced this coefficient?" with: Data Profile ID, original dataset, test conditions, model used, calibration method, original & calibrated parameters, fit metrics, version, and timestamp.
Data used for calibration must not be presented as independent validation data.
This warning is shown both in the UI and in generated reports whenever a calibration dataset is reused as validation data.
User Modes
The same underlying calculation engine is used in every mode. Modes only change the amount of complexity exposed to you.
For users who need one metric. Opens the direct tool for the question — no coupled models, no simulation.
For users who want help selecting the appropriate workflow. Uses the objective browser and decision assistant.
For users who want the complete coupled time-dependent simulation (generation → adsorption → transport → pressure).
For users working with measured data — import, calibrate, validate, with provenance enforced.
For users who want direct control over model selection and all parameters.
Model Selection Guidance
Higher model complexity is not automatically better. Pick the tier that matches your problem.
The user should never have to understand the architecture of the application to use it. The architecture exists to support the user's question. The question determines the workflow. The workflow determines the required model complexity. The model produces the result. The provenance system explains where the result came from. A simple answer stays simple; a complex question has access to the full engine.