Process evolution predictability

Japan Nuclear Cycle Development Institute (JNC) has already developed the coupled thermo -hydro and mechanical (T-H-M) model and has initiated a research on the coupled T-H-M-C processes to predict the chemical evolution of buffer material and porewater chemistry, and the chemical effects on other (thermal, hydraulic and mechanical) processes. In this research, numerical experiment system for the coupled T-H-M-C processes is developed in order to predict the longterm evolution of the near-field (engineered barriers and surrounding host rock) for various repository designs and geological environments. 

The first barrierless electrochemical processes were predicted and investigated experimentally by Krishtalik " for the hydrogen evolution reaction at metals with high overpotential. The theory of barrierless transitions (and therefore also of the activationless transitions for the reverse process) for the hydrogen evolution reaction at metals was given by Dogonadze et al. 

There is no fundamental theory for electro-crystallization, owing in part to the complexity of the process of lattice formation in the presence of solvent, srrrfactants, and ionic solutes. Investigations at the atomic level in parallel with smdies on nonelectrochemical crystallization wotrld be rewarding and may lead to a theory for predicting the evolution of metal morphologies, which range from dertse deposits to crystalline particles and powders. 

Previous reports on FMSZ catalysts have indicated that, in the absence of added H2, the isomerization activity exhibited a typical pattern when measured as a function of time on stream [8, 9], In all cases, the initial activity was very low, but as the reaction proceeded, the conversion slowly increased, reached a maximum, and then started to decrease. In a recent paper [7], we described the time evolution in terms of a simple mathematical model that includes induction and deactivation periods This model predicts the existence of two types of sites with different reactivity and stability. One type of site was responsible for most of the activity observed during the first few minutes on stream, but it rapidly deactivated. For the second type of site, both, the induction and deactivation processes, were significantly slower We proposed that the observed induction periods were due to the formation and accumulation of reaction intermediates that participate in the inter-molecular step described above. Here, we present new evidence to support this hypothesis for the particular case of Ni-promoted catalysts. 

The attraction of lipophilicity in medicinal chemistry is mainly due to Corwin Hansch s work and thus it is traditionally related to pharmacodynamic processes. However, following the evolution of the drug discovery process, lipophilicity is today one of the most relevant properties also in absorption, distribuhon, metabolism, excretion and toxicity (ADMET) prediction, and thus in drug profiling (details are given in Chapter 2). 

One of the main problem encountered when hydrosoluble polymers are used in chemical tertiary process of oil recovery is the prediction of the evolution of the thickening properties of their solutions. 

The interpenetration of these phenomena, mediated by HGT, is also likely to be of great importance for evolution. According to the authors, the genetic code, which plays a key role in all forms of life, leads to the prediction that the first steps of the process of the emergence of life evolved in a Lamarckian manner, with vertical descent driven back by powerful early forms of HGT. 

Fig. 1. Left Enhancements up to 1 dex in [La/Fe], Right Solid and dashed lines show the predicted evolution with halo mix plus pure s-process material the dot-dash line indicates 95% s-process. Our data indicate s-process dominated after [Fe/H] —0.6.

Practically all sophisticated stellar evolution models predict the existence of processes altering photospheric abundances on long timescales (see e.g. Pinson-neault, these proceedings). For example, Richard et al. [6] predict iron abundances in turnoff stars of NGC 6397 to be lower by 0.2 dex than in red giants. 

Abstract. Observed large scatters in abundances of neutron-capture elements in metal-poor stars suggest that they are enriched a single or a few supernovae. Comparing predictions by an inhomogeneous chemical evolution model and new observational results with Subaru HDS, we attempt to constrain the origins of r-process elements. 

However, the detailed description of the FT product distribution together with the reactant conversion is a very important task for the industrial practice, being an essential prerequisite for the industrialization of the process. In this work, a detailed kinetic model developed for the FTS over a cobalt-based catalyst is presented that represents an evolution of the model published previously by some of us.10 Such a model has been obtained on the basis of experimental data collected in a fixed bed microreactor under conditions relevant to industrial operations (temperature, 210-235°C pressure, 8-25 bar H2/CO feed molar ratio, 1.8-2.7 gas hourly space velocity, (GHSV) 2,000-7,000 cm3 (STP)/h/gcatalyst), and it is able to predict at the same time both the CO and H2 conversions and the hydrocarbon distribution up to a carbon number of 49. The model does not presently include the formation of alcohols and C02, whose selectivity is very low in the FTS on cobalt-based catalysts. 

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