“…2 and is in line with the previous work (Ding et al, 2018b). Skar (2001) and Guo et al (2021) discovered that the peak current density of the peak B (i p (B)) is proportional to the concentration of MgOHCl (C(MgOHCl)) in molten MgCl 2 -NaCl or (-KCl) salts (Skar, 2001;Guo et al, 2021), which is in accordance with the Randles-Sevcik equation (Randles, 1948;Ševčík, 1948):…”
Section: Methodssupporting
confidence: 87%
“…In previous work, some efforts have been made to understand the relation between the height of peak B (in Figure 2) and the concentration of MgOHCl in the MgCl 2 -containing chloride salts (Skar, 2001;Ding et al, 2017;2018b;Choi et al, 2019;Gonzalez et al, 2020;Guo et al, 2021). It was found that adding NaOH can increase the height of peak B because of the reaction shown in Eq.…”
Section: Resultsmentioning
confidence: 99%
“…The reduction peak in the cyclic voltammogram-peak B, shown in Figure 2, represents the reaction of MgOH + to MgO, as shown in Eq. 2 (Skar, 2001;Ding et al, 2018b;Guo et al, 2021). Moreover, the current density of peak B in the cyclic voltammogram is linearly linked to the concentration of MgOH + .…”
Section: Introductionmentioning
confidence: 99%
“…To measure the oxygen-containing impurity concentration or redox potential of molten salts, electrochemical methods including cyclic voltammetry (CV) (Skar, 2001;Ding et al, 2017;2018b;Choi et al, 2019;Gonzalez et al, 2020;Guo et al, 2021), square wave voltammetry (SWV) (Song et al, 2018), chronopotentiometry (CP) (Zhang et al, 2020), and open-circuit potentiometry (OCP) (Choi et al, 2019;Gonzalez et al, 2020) have been employed in molten chloride salts (Williams et al, 2021). Among them, an approach combining in situ and ex situ measurement of MgOH + Cl − was investigated, in which cyclic voltammetry (CV) was employed as the in situ measurement of MgOHCl (Skar, 2001;Ding et al, 2018b;Guo et al, 2021), while ex situ methods of titration (Skar, 2001;Ding et al, 2018b) and carbothermal reduction (Skar, 2001) were used for the ex situ measurement to calibrate the in situ CV measurement. The reduction peak in the cyclic voltammogram-peak B, shown in Figure 2, represents the reaction of MgOH + to MgO, as shown in Eq.…”
MgCl2–KCl–NaCl is a promising thermal energy storage (TES) material and heat transfer fluid (HTF) with high operating temperatures of >700°C for next-generation concentrating solar power (CSP) plants. One major challenge for future implementation of the molten chloride TES/HTF technology arises from the presence of some corrosive impurities, especially MgOHCl, a hydrolysis product of hydrated MgCl2. Even extremely low-concentration MgOHCl (tens of ppm O in weight) can cause unneglectable corrosion of commercial Fe–Cr–Ni alloys, which limits their service time as the structural materials in the molten chloride TES/HTF system. Thus, the chemical analysis and monitoring techniques of MgOHCl at the tens of ppm O level are vital for corrosion control. In this work, a chemical analysis technique based on direct titration and a high-precision automatic titrator was developed for an exact measurement of MgOHCl at the tens of ppm O level. It shows a standard deviation below 5 ppm O and an average error below 7 ppm O when the concentration of MgOHCl is 36 ppm O. Moreover, compared to other methods available in some literature reports, it can exclude the influence of co-existing MgO on the MgOHCl concentration measurement. This chemical analysis technique was used to calibrate the previously developed electrochemical method based on cyclic voltammetry (CV) to achieve reliable in situ monitoring of MgOHCl in the MgCl2–KCl–NaCl molten salt at a concentration as low as the tens of ppm O level. The in situ monitoring technique shows a monitoring limitation of <39 ppm O. The two techniques for MgOHCl measurement developed in this work could be used to develop an in situ corrosion control system to ensure the long service time of the molten chloride TES/HTF system in next-generation CSP plants.
“…2 and is in line with the previous work (Ding et al, 2018b). Skar (2001) and Guo et al (2021) discovered that the peak current density of the peak B (i p (B)) is proportional to the concentration of MgOHCl (C(MgOHCl)) in molten MgCl 2 -NaCl or (-KCl) salts (Skar, 2001;Guo et al, 2021), which is in accordance with the Randles-Sevcik equation (Randles, 1948;Ševčík, 1948):…”
Section: Methodssupporting
confidence: 87%
“…In previous work, some efforts have been made to understand the relation between the height of peak B (in Figure 2) and the concentration of MgOHCl in the MgCl 2 -containing chloride salts (Skar, 2001;Ding et al, 2017;2018b;Choi et al, 2019;Gonzalez et al, 2020;Guo et al, 2021). It was found that adding NaOH can increase the height of peak B because of the reaction shown in Eq.…”
Section: Resultsmentioning
confidence: 99%
“…The reduction peak in the cyclic voltammogram-peak B, shown in Figure 2, represents the reaction of MgOH + to MgO, as shown in Eq. 2 (Skar, 2001;Ding et al, 2018b;Guo et al, 2021). Moreover, the current density of peak B in the cyclic voltammogram is linearly linked to the concentration of MgOH + .…”
Section: Introductionmentioning
confidence: 99%
“…To measure the oxygen-containing impurity concentration or redox potential of molten salts, electrochemical methods including cyclic voltammetry (CV) (Skar, 2001;Ding et al, 2017;2018b;Choi et al, 2019;Gonzalez et al, 2020;Guo et al, 2021), square wave voltammetry (SWV) (Song et al, 2018), chronopotentiometry (CP) (Zhang et al, 2020), and open-circuit potentiometry (OCP) (Choi et al, 2019;Gonzalez et al, 2020) have been employed in molten chloride salts (Williams et al, 2021). Among them, an approach combining in situ and ex situ measurement of MgOH + Cl − was investigated, in which cyclic voltammetry (CV) was employed as the in situ measurement of MgOHCl (Skar, 2001;Ding et al, 2018b;Guo et al, 2021), while ex situ methods of titration (Skar, 2001;Ding et al, 2018b) and carbothermal reduction (Skar, 2001) were used for the ex situ measurement to calibrate the in situ CV measurement. The reduction peak in the cyclic voltammogram-peak B, shown in Figure 2, represents the reaction of MgOH + to MgO, as shown in Eq.…”
MgCl2–KCl–NaCl is a promising thermal energy storage (TES) material and heat transfer fluid (HTF) with high operating temperatures of >700°C for next-generation concentrating solar power (CSP) plants. One major challenge for future implementation of the molten chloride TES/HTF technology arises from the presence of some corrosive impurities, especially MgOHCl, a hydrolysis product of hydrated MgCl2. Even extremely low-concentration MgOHCl (tens of ppm O in weight) can cause unneglectable corrosion of commercial Fe–Cr–Ni alloys, which limits their service time as the structural materials in the molten chloride TES/HTF system. Thus, the chemical analysis and monitoring techniques of MgOHCl at the tens of ppm O level are vital for corrosion control. In this work, a chemical analysis technique based on direct titration and a high-precision automatic titrator was developed for an exact measurement of MgOHCl at the tens of ppm O level. It shows a standard deviation below 5 ppm O and an average error below 7 ppm O when the concentration of MgOHCl is 36 ppm O. Moreover, compared to other methods available in some literature reports, it can exclude the influence of co-existing MgO on the MgOHCl concentration measurement. This chemical analysis technique was used to calibrate the previously developed electrochemical method based on cyclic voltammetry (CV) to achieve reliable in situ monitoring of MgOHCl in the MgCl2–KCl–NaCl molten salt at a concentration as low as the tens of ppm O level. The in situ monitoring technique shows a monitoring limitation of <39 ppm O. The two techniques for MgOHCl measurement developed in this work could be used to develop an in situ corrosion control system to ensure the long service time of the molten chloride TES/HTF system in next-generation CSP plants.
“…Molten salts are high temperature ionic liquids with significant potential in energy applications such as liquid metal batteries, 11,12 concentrated solar power 13,14 and molten salt reactors. 15 The high chemical reactivity of molten salts makes direct characterization of their structure and properties experimentally challenging.…”
<p>The <i>in silico</i> modeling of molten salts is of crucial importance to emerging "carbon free" energy applications, but is inhibited by the computational cost of quantum mechanically treating the high polarizabilities characteristic of molten salts. Here, we integrate configurational sampling using classical force-fields with active learning to automate the generation of near-DFT accurate machine learning Gaussian Approximation Potentials (GAP) for molten LiCl using fewer than 600 atomic configurations. Relative to conventional<i> ab initio</i> molecular dynamics, the molten LiCl GAP model exhibits a <b>19,000x </b>speedup and improved experimental agreement as gauged by calculated R-factors. The accuracy of the GAP parametrization workflow is validated by its ability to reproduce experimental structure factors, densities, self-diffusion coefficients, and ionic conductivities for molten LiCl. This hybrid simulation strategy significantly accelerates the generation of machine learning potentials for molten salts by reducing the expensive <i>ab initio</i> calculations required for parameterization to <b>O(100)</b> evaluations, enabling the facile generation of first-principles quality predictions of structural and dynamical properties of molten salts.</p>
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