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The equilibrium constant for a full redox reaction can be obtained from the standard redox potentials of the constituent half-reactions. At equilibrium the potential for the two half-reactions must be equal to each other and, of course, the number of electrons exchanged must be the same in the two half reactions. [32]
The law is a statement about equilibrium and gives an expression for the equilibrium constant, a quantity characterizing chemical equilibrium. In modern chemistry this is derived using equilibrium thermodynamics. It can also be derived with the concept of chemical potential. [3]
A PDF creator and virtual PDF printer for Microsoft Windows PDF-XChange: Proprietary: Yes: PDF Tools allows creation of PDFs from many types of source input (images, scans, etc.). The PDF-XChange print driver allows printing directly to a PDF. A "lite" version of the print driver is free for non-commercial (home and academic) use. PrimoPDF ...
Proprietary, free academic use, source code Beckman Institute: NWChem: No No Yes Yes No No Yes No No High-performance computational chemistry software, includes quantum mechanics, molecular dynamics and combined QM-MM methods Free open source, Educational Community License version 2.0 NWChem: Protein Local Optimization Program: No Yes Yes Yes ...
Spartan is a molecular modelling and computational chemistry application from Wavefunction. [2] It contains code for molecular mechanics, semi-empirical methods, ab initio models, [3] density functional models, [4] post-Hartree–Fock models, [5] and thermochemical recipes including G3(MP2) [6] and T1. [7]
Pourbaix diagram of iron. [1] The Y axis corresponds to voltage potential. In electrochemistry, and more generally in solution chemistry, a Pourbaix diagram, also known as a potential/pH diagram, E H –pH diagram or a pE/pH diagram, is a plot of possible thermodynamically stable phases (i.e., at chemical equilibrium) of an aqueous electrochemical system.
[11] [12] This time scale becomes shorter as the temperature is raised. In every reaction, the first product formed is that which is most easily formed. Thus, every reaction a priori starts under kinetic control. [13] A necessary condition for thermodynamic control is reversibility or a mechanism permitting the equilibration between products.
It is an advantage if the software allows the equilibrium to be calculated using many different types of conditions for the system, not only the temperature, pressure and overall composition because in many cases the equilibrium may be determined at constant volume or at a given chemical potential of an element or a given composition of a ...