Fig. 4: Iterative MIVM+Calorimetry+AIMD fitting analyses of experimentally obtained ΔHmix through single variable perturbation. | Communications Chemistry

Fig. 4: Iterative MIVM+Calorimetry+AIMD fitting analyses of experimentally obtained ΔHmix through single variable perturbation.

From: A hybrid calorimetry-simulation model of mixing enthalpy for molten salt

Fig. 4: Iterative MIVM+Calorimetry+AIMD fitting analyses of experimentally obtained ΔHmix through single variable perturbation.The alternative text for this image may have been generated using AI.

Black dashed curve represents the MIVM fit of calorimetric data with values from Table 1 (Z1, Z2, B12 and B21). The red solid curve represents raising the magnitude of the corresponding parameter by 10% and the blue solid curve represents lowering the magnitude of the corresponding parameter by 10%. a Perturbation of the Z1 parameter; b Perturbation of the Z2 parameter; c Perturbation of the B21 parameter; and d Perturbation of the B12 parameter.

Back to article page