Thermal Analysis Skill Skill

Thermal Analysis Skill

Purpose

The Thermal Analysis skill provides comprehensive thermal characterization workflows for materials science applications, enabling systematic analysis of phase transitions, thermal stability, decomposition kinetics, and viscoelastic properties through DSC, TGA, DTA, TMA, and DMA techniques.

Capabilities

DSC baseline correction and peak integration
Glass transition temperature (Tg) determination
Crystallization and melting enthalpy calculation
TGA decomposition kinetics analysis (Kissinger, FWO methods)
DTA phase transformation identification
TMA expansion coefficient calculation
DMA viscoelastic property extraction (E', E'', tan delta)
Multi-heating rate kinetic analysis

Usage Guidelines

Differential Scanning Calorimetry (DSC)

Baseline Correction
- Select appropriate baseline type (linear, sigmoidal, spline)
- Define integration limits for peak area calculation
- Apply correction for instrument drift
Glass Transition Analysis
- Use midpoint, onset, or inflection method consistently
- Report heating rate used for measurement
- Note fictive temperature for aging studies
Enthalpy Calculation
- Integrate peak area with proper baseline
- Apply calibration constant from standards
- Report uncertainty based on baseline selection

Thermogravimetric Analysis (TGA)

Decomposition Analysis
- Identify mass loss steps and temperatures
- Calculate derivative curves (DTG) for step resolution
- Correlate with evolved gas analysis if available
Kinetic Analysis
- Apply isoconversional methods (Kissinger, FWO, KAS)
- Use multiple heating rates (5, 10, 20 K/min minimum)
- Report activation energy with confidence intervals

Dynamic Mechanical Analysis (DMA)

Viscoelastic Properties
- Extract storage modulus (E'), loss modulus (E'')
- Calculate loss tangent (tan delta)
- Identify glass transition from tan delta peak or E' onset
Frequency Dependence
- Perform temperature-frequency sweeps
- Apply time-temperature superposition
- Generate master curves for long-term prediction

Process Integration

MS-004: Thermal Analysis Protocol (all phases)
MS-003: Spectroscopic Analysis Suite (thermal-spectroscopy correlation)

Input Schema

{
  "sample_id": "string",
  "technique": "DSC|TGA|DTA|TMA|DMA",
  "temperature_range": {
    "start": "number (C)",
    "end": "number (C)"
  },
  "heating_rate": "number (K/min) or array",
  "atmosphere": "nitrogen|air|argon|oxygen",
  "analysis_type": "transition|kinetics|modulus|expansion"
}

Output Schema

{
  "sample_id": "string",
  "technique": "string",
  "results": {
    "transitions": [
      {
        "type": "Tg|Tm|Tc|Td",
        "temperature": "number (C)",
        "enthalpy": "number (J/g)",
        "method": "string"
      }
    ],
    "kinetics": {
      "activation_energy": "number (kJ/mol)",
      "pre_exponential": "number",
      "method": "string"
    },
    "mechanical": {
      "storage_modulus": "number (Pa)",
      "loss_modulus": "number (Pa)",
      "tan_delta_peak": "number (C)"
    }
  }
}

Best Practices

Calibrate with certified standards (indium, sapphire) before measurements
Use consistent sample mass and pan type within a study
Report all experimental parameters for reproducibility
Apply appropriate baseline corrections before integration
Use multiple heating rates for kinetic reliability
Consider thermal lag at high heating rates

Integration Points

Connects with Spectroscopy Analysis for coupled TGA-FTIR/MS
Feeds into Polymer Characterization for comprehensive analysis
Supports Mechanical Testing for property correlation
Integrates with Materials Database for data archival

Agent Skills: Thermal Analysis Skill

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