4:00 PM - 4:15 PM
[MGI33-07] Specifying rate constants and reaction path on the water-rock chemical reaction based on exchange Monte Carlo method and sparse modeling
In this study, we present a novel framework to estimate multiple reaction-rate constants from the mineral distribution pattern in a rock by using the exchange Monte Carlo method (Hukushima & Nemoto, 1997; Iba, 2001). We applied the method to the synthetic data, which includes nine unknown parameters to be estimated (Oyanagi et al., 2018). As a result, probabilistic distribution of six unknown parameters among them showed normal distributions and the proposed method could find each true parameter. However, the probabilistic distribution of others showed uniform distributions and the proposed method failed to estimate each true value because these parameters did not contribute to the observed dataset. We suggest that effective reaction paths could be extracted from mineral distribution pattern in a rock, by excluding non-effective rate constant using a sparse Modeling.
Hukushima K, Nemoto K (1996) Exchange Monte Carlo method and application to spin glass simulations. J Phys Soc Japan 65:1604–1608. doi: 10.1143/JPSJ.65.1604
Iba Y (2001) Extended Ensemble Monte Carlo. Int J Mod Phys C 12:623–656. doi: 10.1142/S0129183101001912
Oyanagi R, Okamoto A, Tsuchiya N (2018) Multiple Kinetic Parameterization in a Reactive Transport Model Using the Exchange Monte Carlo Method. Minerals 8:579. doi: 10.3390/min8120579