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3 is 2 molar equivalents because twice as many H + ions would be necessary to balance the charge. The total charge of a solution always equals zero. [8] This leads to a parallel definition of alkalinity that is based upon the charge balance of ions in a solution. = ()
CO2SYS is a family of software programs that calculate chemical equilibria for aquatic inorganic carbon species and parameters. Their core function is to use any two of the four central inorganic carbon system parameters (pH, alkalinity, dissolved inorganic carbon, and partial pressure of carbon dioxide) to calculate various chemical properties of the system.
Mulliken charges arise from the Mulliken population analysis [1] [2] and provide a means of estimating partial atomic charges from calculations carried out by the methods of computational chemistry, particularly those based on the linear combination of atomic orbitals molecular orbital method, and are routinely used as variables in linear regression (QSAR [3]) procedures. [4]
Then, the output is translated into the "language" of common use: molar and mass concentrations, alkalinity, buffer capacities, water hardness, conductivity and others. History. Version 1.0 was released in January 2012 (after a half-year test run in 2011). The project is active with 1-2 updates per month.
The relative amounts of each species in a body of water depends on physical variables including temperature and salinity, as well as chemical variables like pH and gas partial pressure. Variables like alkalinity and dissolved (or total) inorganic carbon further define a mass and charge balance that constrains the total state of the system. [1] [2]
The molar ionic strength, I, of a solution is a function of the concentration of all ions present in that solution. [3]= = where one half is because we are including both cations and anions, c i is the molar concentration of ion i (M, mol/L), z i is the charge number of that ion, and the sum is taken over all ions in the solution.
In electrochemistry, the Randles–Ševčík equation describes the effect of scan rate on the peak current (i p) for a cyclic voltammetry experiment. For simple redox events where the reaction is electrochemically reversible, and the products and reactants are both soluble, such as the ferrocene/ferrocenium couple, i p depends not only on the concentration and diffusional properties of the ...
Cation-exchange capacity (CEC) is a measure of how many cations can be retained on soil particle surfaces. [1] Negative charges on the surfaces of soil particles bind positively-charged atoms or molecules (cations), but allow these to exchange with other positively charged particles in the surrounding soil water. [2]