On the Thermodynamics of Framework Breathing: A Free Energy Model for Gas Adsorption in MIL-53
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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 ...
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 ...
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 ...
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 ...
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 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 ...
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 ...
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 ...
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 ...