Multisite surface complexation model

The multisite surface complexation model (MS-SCM) by Hiem-stra, Van Riemsdijk, and Bolt (27) was the first effort directed at understanding the reactivity of an oxide surface in terms of heterogeneous array individual surface functional groups. These authors... 

Tadanier, C., and Eick, M. J. (2002). Formulating the charge distribution multisite surface complexation model using FITEQL. Soil Sci. Soc. Am. J. 66, 1505-1517. 

Kulik. D.A. et al., Acid-base surface chemistry and sorption of some lanthanides on K -saturated Marblehead illite II. A multisite-surface complexation modeling, Geochim. Cosmochim. Acta, 64, 195, 2000. 

Rustad JR, Felmy AR, Hay BP (1996b) Molecular statics calculation of proton binding to goethite surfaces A new approach to estimation of stability constants for multisite surface complexation models. Geochim Cosmochim Acta 60 1563-1576... 

Charge distribution multisite complexation model (CD-MUSIC) A surface complexation model for explaining ion adsorption on the surfaces of adsorbents. Hiemstra and van Riemsdijk (1999) used the model to explain the adsorption of arsenate oxyanions on goethite. 

Surface complexation model A computer code or geochemical model that provides an explanation and attempts to predict the partitioning of a chemical species between the surface of an adsorbent and the associated solvent. The models consider a number of factors, including pH and ionic strength (see (Langmuir, 1997), 369-395 for details compare with charge distribution multisite complexation model). 

Peacock, C.L. and Sherman, D.M., Surface complexation model for multisite adsorption of copper(n) onto kaolinite, Geochim. Cosmochim. Acta, 69, 3733, 2005. 

The much more realistic multisite surface complexation (music) model recognizes that different kinds of oxo-/hydroxo-groups are developed on the surface of the oxidic supports [18], Thus, single MO(H), double M20(H) and/or triple MjO coordinated oxo-/hydroxo-groups may be developed on the surface. Moreover, this model provides a very simple formula for estimating the surface charge of the surface oxo-/hydroxo-groups. 

Bickmore BR, Rosso KM, Mitchell SC (2006) Is there hope for multisite complexation modeling hr Ltitzenkirchen J (ed) Surface complexation modelling. Elsevier, Amsterdam... 

Using the multisite complexation model (MUSIC), ° the surface of palladium oxide has been modeled providing useful data on the nature, number, and the acid-base strength of the hydroxyl groups present on the different faces (111) and (10 0) of... 

A generalization of the 1-pK model for oxides, where oxide atoms are coordinated by greater amount of metal atoms is called MUltiSIte Complexation model (MUSIC) is proposed by Hiemstra et al. [30]. According to this model, the electric charge on the surface of the solids is formed by the adsorption of H+ ion on hydroxyl groups of the different coordination degree. 

The most successful attempt to derive the surface charging behavior from the properties of the material is known as MUSIC [42] (MUltiSIte Complexation) model. Because of many refinements following the original model, MUSIC should be rather considered as a general framework. 

In the surface complexation literature, the multisite approach is not very often applied. Instead, a generic surface site (i.e., one-site model) is used, mostly in combination with a 2-pK formalism. Use of a 1-pK model need not be discussed here, because the stabihty constant in the 1-pK model corresponds to the point of zero... 

The conditions in the coexisting aqueous solution and the anions or cations at the surface will affect the degree of hydration and the type of reactions that can occur at the surface. The degree of hydration will be a function of the bond-valence requirements of the anions at the surface and the pH of the solution. The bond-valence requirements of the surface anions can be predicted using the MUSIC ( MUltiSIte Complexation ) model of Hiemstra et al. [27] using the equation... 

---