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- W4380150976 abstract "This study presents a comprehensive community data-driven surface complexation modeling framework for simulating potentiometric titration of mineral surfaces. Compiled community data for ferrihydrite, goethite, hematite, and magnetite are fit to produce representative protolysis constants that can reproduce potentiometric titration data collected from multiple literature sources. Using this framework, the impact of surface complexation model type and surface site density (SSD) on the fit quality and protolysis constants can be readily evaluated. For example, the non-electrostatic model yielded a poor data fit compared to diffuse double layer model and constant capacitance models due to the absence of known surface charge effects. Regardless of the choice of iron oxide mineral, pKa1 decreased with increasing SSD while the opposite tendency was observed for pKa2. This newly developed framework demonstrates a method to reconcile community data-wide potentiometric titration data using Findable, Accessible, Interoperable, Reusable data principles to produce mineral protolysis constants that improve robustness of surface complexation models for applications in metal sorption and reactive transport modeling. The framework is readily expandable (as community data increase) and extensible (as the number of minerals increase). The framework provides a path forward for developing self-consistent, comprehensive, and updateable surface complexation databases for surface complexation and reactive transport modeling." @default.
- W4380150976 created "2023-06-11" @default.
- W4380150976 creator A5023451827 @default.
- W4380150976 creator A5028978175 @default.
- W4380150976 creator A5060043077 @default.
- W4380150976 creator A5072587596 @default.
- W4380150976 creator A5085507887 @default.
- W4380150976 date "2023-10-01" @default.
- W4380150976 modified "2023-10-06" @default.
- W4380150976 title "Application of Community Data to Surface Complexation Modeling Framework Development: Iron Oxide Protolysis" @default.
- W4380150976 cites W1512695912 @default.
- W4380150976 cites W1965122341 @default.
- W4380150976 cites W1966428360 @default.
- W4380150976 cites W1972944673 @default.
- W4380150976 cites W1973475165 @default.
- W4380150976 cites W1976618159 @default.
- W4380150976 cites W1976964014 @default.
- W4380150976 cites W1977030388 @default.
- W4380150976 cites W1977196632 @default.
- W4380150976 cites W1977838585 @default.
- W4380150976 cites W1983267687 @default.
- W4380150976 cites W1985046509 @default.
- W4380150976 cites W1989265259 @default.
- W4380150976 cites W1990374109 @default.
- W4380150976 cites W1994659576 @default.
- W4380150976 cites W1997184367 @default.
- W4380150976 cites W1998401145 @default.
- W4380150976 cites W2002212735 @default.
- W4380150976 cites W2008698431 @default.
- W4380150976 cites W2008964426 @default.
- W4380150976 cites W2011343745 @default.
- W4380150976 cites W2011837236 @default.
- W4380150976 cites W2014373723 @default.
- W4380150976 cites W2016154360 @default.
- W4380150976 cites W2016619659 @default.
- W4380150976 cites W2016992496 @default.
- W4380150976 cites W2019643501 @default.
- W4380150976 cites W2031694885 @default.
- W4380150976 cites W2032192588 @default.
- W4380150976 cites W2036659957 @default.
- W4380150976 cites W2037029093 @default.
- W4380150976 cites W2038291938 @default.
- W4380150976 cites W2038475470 @default.
- W4380150976 cites W2040319869 @default.
- W4380150976 cites W2040491300 @default.
- W4380150976 cites W2045001510 @default.
- W4380150976 cites W2045274152 @default.
- W4380150976 cites W2045842718 @default.
- W4380150976 cites W2048631263 @default.
- W4380150976 cites W2049124717 @default.
- W4380150976 cites W2049381544 @default.
- W4380150976 cites W2050080229 @default.
- W4380150976 cites W2051497400 @default.
- W4380150976 cites W2055089819 @default.
- W4380150976 cites W2055139973 @default.
- W4380150976 cites W2059929087 @default.
- W4380150976 cites W2063548212 @default.
- W4380150976 cites W2063906411 @default.
- W4380150976 cites W2069770779 @default.
- W4380150976 cites W2070093547 @default.
- W4380150976 cites W2070736875 @default.
- W4380150976 cites W2070799210 @default.
- W4380150976 cites W2074113913 @default.
- W4380150976 cites W2076814286 @default.
- W4380150976 cites W2079755697 @default.
- W4380150976 cites W2081150409 @default.
- W4380150976 cites W2082547953 @default.
- W4380150976 cites W2087726412 @default.
- W4380150976 cites W2088852252 @default.
- W4380150976 cites W2092482146 @default.
- W4380150976 cites W2094545984 @default.
- W4380150976 cites W2103606741 @default.
- W4380150976 cites W2126129862 @default.
- W4380150976 cites W2133476129 @default.
- W4380150976 cites W2139750848 @default.
- W4380150976 cites W2144971922 @default.
- W4380150976 cites W2145246972 @default.
- W4380150976 cites W2158422335 @default.
- W4380150976 cites W2161814610 @default.
- W4380150976 cites W2161825099 @default.
- W4380150976 cites W2166113726 @default.
- W4380150976 cites W2171447196 @default.
- W4380150976 cites W2313149606 @default.
- W4380150976 cites W2317129351 @default.
- W4380150976 cites W2472245011 @default.
- W4380150976 cites W2486639324 @default.
- W4380150976 cites W2557615419 @default.
- W4380150976 cites W2732757594 @default.
- W4380150976 cites W2763212091 @default.
- W4380150976 cites W2943626482 @default.
- W4380150976 cites W2990165002 @default.
- W4380150976 cites W2991188715 @default.
- W4380150976 cites W3103138321 @default.
- W4380150976 cites W3151054771 @default.
- W4380150976 cites W4210504992 @default.
- W4380150976 cites W4256225345 @default.
- W4380150976 cites W8489571 @default.
- W4380150976 doi "https://doi.org/10.1016/j.jcis.2023.06.054" @default.