{"title":"Kinec_v3: A computer database for the calculation of the dissolution rates of the major rock forming minerals","authors":"Eric H. Oelkers , Mouadh Addassi","doi":"10.1016/j.chemgeo.2025.123041","DOIUrl":null,"url":null,"abstract":"<div><div>The Kinec_v3 database allows the calculation of the dissolution rates of 133 major rock forming minerals in aqueous solutions at temperatures from 0 to 300 °C, pH from 0 to 14 and mineral saturation states from far-from-equilibrium to equilibrium. Calculated rates are generated using equations and parameters reported by Hermanska et al. (2022,2023) and Oelkers and Addassi (2025). The database has been created to be used in conjunction with the PHREEQC, but can be adapted for use in other computer algorithms that take into account fluid-mineral equilibria, mineral reactions and chemical transport. The Kinec_v3 database also allows for calculation of mineral precipitation rates consistent with dissolution rates using transition state theory based rate equations, yet such calculations are largely unverified at present, due to the dearth of available experimental measurements. The Kinec_v3 database is available to download from <span><span>https://github.com/Mou1a/Kinect_V3</span><svg><path></path></svg></span>.</div></div>","PeriodicalId":9847,"journal":{"name":"Chemical Geology","volume":"695 ","pages":"Article 123041"},"PeriodicalIF":3.6000,"publicationDate":"2025-09-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Chemical Geology","FirstCategoryId":"89","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0009254125004310","RegionNum":2,"RegionCategory":"地球科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"GEOCHEMISTRY & GEOPHYSICS","Score":null,"Total":0}
引用次数: 0
Abstract
The Kinec_v3 database allows the calculation of the dissolution rates of 133 major rock forming minerals in aqueous solutions at temperatures from 0 to 300 °C, pH from 0 to 14 and mineral saturation states from far-from-equilibrium to equilibrium. Calculated rates are generated using equations and parameters reported by Hermanska et al. (2022,2023) and Oelkers and Addassi (2025). The database has been created to be used in conjunction with the PHREEQC, but can be adapted for use in other computer algorithms that take into account fluid-mineral equilibria, mineral reactions and chemical transport. The Kinec_v3 database also allows for calculation of mineral precipitation rates consistent with dissolution rates using transition state theory based rate equations, yet such calculations are largely unverified at present, due to the dearth of available experimental measurements. The Kinec_v3 database is available to download from https://github.com/Mou1a/Kinect_V3.
期刊介绍:
Chemical Geology is an international journal that publishes original research papers on isotopic and elemental geochemistry, geochronology and cosmochemistry.
The Journal focuses on chemical processes in igneous, metamorphic, and sedimentary petrology, low- and high-temperature aqueous solutions, biogeochemistry, the environment and cosmochemistry.
Papers that are field, experimentally, or computationally based are appropriate if they are of broad international interest. The Journal generally does not publish papers that are primarily of regional or local interest, or which are primarily focused on remediation and applied geochemistry.
The Journal also welcomes innovative papers dealing with significant analytical advances that are of wide interest in the community and extend significantly beyond the scope of what would be included in the methods section of a standard research paper.