On the Thermodynamics of Framework Breathing: A Free Energy Model for Gas Adsorption in MIL-53
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This letter describes a level set framework for the numerical modelling of primary static recrystallization in a polycrystalline material. The topological evolution of the grain structure is simulated in two and three dimensions, based on a kinetic law rel ...
In this paper we evaluate the free energy of the dilute p-spin model at finite temperature. Franz et al gave the first step to rigourize the replica solution for the dilute p-spin model by proving that the solution given by the Parisi replica scheme is a l ...
In this review ligand exchange and complex formation reactions on fac-[(CO)3M(H2O)3]+ (M = Mn, Tc, Re) and on fac-[(CO)2(NO)Re(H2O)3]2+ are presented. A variety of experimental NMR techniques are described and it is shown that sometimes combinations of tec ...
With the purpose of assessing the reactivity of chloride ions dissolved in ionic liquids (ILs), a relative scale for the solvation of chloride is given for a series of ILs based on the bis(trifluoromethane)sulfonimide ([Tf2N]) anion and differen ...
Mycobacterium tuberculosis (Mtb) cytochrome P450 gene CYP121 is shown to be essential for viability of the bacterium in vitro by gene knock-out with complementation. Production of CYP121 protein in Mtb cells is demonstrated. Minimum inhibitory concentratio ...
In recent years, superhydrophobic surfaces have attracted a considerable amount of attention from the academic and industrial communities. This growing interest is mainly caused by the fundamental physico-chemical theoretical aspects that remain obscure an ...
New fluorinated host compounds, namely, 2,4,6-tris(4-bromo-3-fluorophenoxy) -1,3,5-triazine, 2,4,6-tris(4-bromo-3,5-difluorophenoxy)-1,3,5-triazine, and 2,4,6-tris(4-bromo-2,6-difluorophenoxy)-1,3,5-triazine, were synthesized to investigate the effect of f ...
When a mixed self-assembled monolayer forms on the curved surface of a gold nanoparticle two opposed point defects must form for topological reasons. Here we present a thermodynamic study proving that these defects are more reactive than other sites on the ...
The contribution of the solvation energies to the assembly of polynuclear helicates reduces the free energy of intermetallic repulsion, DEMM, in condensed phase to such an extent that stable D3-symmetrical tetranuclear lanthanide-containing triplestranded ...
Cities are complex dynamic entities. From a thermodynamic perspective, they represent open systems, constantly importing and exporting energy and matter across their boundaries; the output invariably being less ordered due to irreversible internal processe ...