2020. 1. 25. 01:57ㆍ카테고리 없음
ChemEQL was developed as an accessible and handy utility that allows users to make chemical speciation equilibria calculations. Users must choose the desired components from the Chem EQL library and the make the desired calculations with them. Sep 28, 2017 - full'.,10.11.5.,'ChemEQL 3.1,file NoWkZp. Sharing QLsbVk2' nulled thepiratebay 926,for mac bbscFONQ6.,'10.9,Mavericks new. ChemEQL is an extended and user-friendly version of the original program MICROQL by John Westall. It runs on MacOSX, Windows, Linux, and Solaris. (For older Mac-operating systems there exists a Pascal-version of ChemEQL V2.0).
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What software is available out there to calculate the equilibrium in a set of reactions in aqueous solution? In particular, I'm interested in software general enough to simulate things like titration curves involving acido-basicity, complex formation, precipitation A web search turns up plenty of academic papers giving algorithms to find the equilibrium of such systems, but I'd like to find software that actually performs it. In particular, it would be really helpful if there existed such software that included a decent database of reaction constants for some well-known reactions (pKa for common acide-base couples, complexation and precipitation constants, etc.). Edit: Apparently I was unclear: I'm not looking for molecular simulation codes, but for software that can calculate chemical equilibrium in solution from initial concentrations and a database of equilibrium constants for each possible reaction. The kind of thing teachers can use to predict titration curve and demonstrate the effect of various initial concentrations to students.
What is aqueous geochemical modelling? Department of Geosciences North Dakota State University WEB-PHREEQC: AQUEOUS GEOCHEMICAL MODELLING What is aqueous geochemical modelling? For the purposes of this course, we can begin with considering aqueous geochemical modelling to be the calculation of:. equilibrium concentrations (or activities) of chemical species in solution, and. the saturation indices (SI's) of solid phases in equilibrium with a solution. From a chemical analysis (real or hypothetical) of a solution.
A slightly broader definition includes the calculation of the effects of mixing of waters, adding phases to the solution, changing the solution's temperature, Eh, or pH, etc. Approximations of this kind of calculation can be done on a hand calculator or on a spreadsheet.
More detailed calculations can be done using computer programs such as, WATEQ4F, MINTEQ, EQ3/6, and the. B.Saini-Eidukat Geochemistry NDSU Geology/Chemistry 428/628.