Table 2 Experimental properties of the three newly synthesized polymers compared with predictions from ML models

From: Machine-learning-assisted discovery of polymers with high thermal conductivity using a molecular design algorithm

Polymer

4 (pre)

4 (obs)

4 (anneal)

13 (pre)

13 (obs)

13 (anneal)

19 (pre)

19a (obs)

Tg (°C) (DSC)

286

N/Aa

–

228

N/Aa

–

121

194

Tg (°C) (FSC)

286

221

–

228

226

–

121

191

Tm (°C) (FSC)

404

513

–

426

494

–

321

303

λ (W/mK)

0.246

0.261

0.408b

0.225

0.224

0.387

0.218

0.195

Xc

–

0.16

–

–

0.30

0.30

–

0.09c

  1. Compressed film-shaped samples were used in all cases except the X-ray diffraction of polymer 19a. We report values from prediction (pre), observation (obs) and observation after annealing (anneal)
  2. DSC differential scanning calorimetry, FSC fast scanning calorimetry, Tg glass transition temperature, Tm melting temperature
  3. aTg values, and instead, FSC was introduced to determine Tg and Tm
  4. bThermal conductivity of annealed polymer 4 was obtained using the heat capacity and density measured for non-heat-treated samples
  5. cCrystallinity (Xc) of polymer 19a was measured in powder form
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