Incremental Model Identification of Reaction Systems
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We derive a nonlinear stabilized Galerkin approximation of the Laplace operator for which we prove a discrete maximum principle on arbitrary meshes and for arbitrary space dimension without resorting to the well-known acute condition or generalizations the ...
We have investigated different possible mechanisms for the cis-trans isomerization in triply bonded ditungsten complexes with stoichiometry W2Cl4(NHEt)2(PMe3)2 using static d. functional calcns. as well as Car-Parrinello simulations. Our studies reveal an ...
A new method for the determination of low concentrations (0.03-35 mu M) of the aqueous ferrate (Fe(VI)) was developed. The method is based on the reaction of Fe(VI) with 2,2'-azino-bis(3-ethylbenzothiazoline-6-sulfonate) (ABTS) which forms a green radical ...
Numerical models of reactive solute transport in groundwater are often solved using an approximate two-step approach that separates the transport and reaction processes. Even though the transport and reaction steps are split, using a novel formulation it i ...
Monomeric LiPhNNPhSiMe3.2Et2O was obtained by deprotonation of PhHNNPhSiMe3 with BuLi in the presence of Et2O. Reaction of NaN(SiMe3)2 with PhHNN(SiMe3)2 in a C6H6/THF mixt. provided monomeric NaPhNN(SiMe3)2.3THF, or NaPhNN(SiMe3)2.THF using a small amt. o ...
A new method to investigate atmospheric chemical kinetics is presented. It is based on the pump and probe principle. Preliminary measurements are described on the decay rate of OH in the planetary boundary layer its concentration has been raised by laser f ...
We formulate and solve a new parameter estimation problem in the presence of bounded data uncertainties. The new method is suitable when a priori bounds on the uncertain data are available; its solution guarantees that the effect of the uncertainties will ...
A method for the online calcn. of conversion rates and yield coeffs. under dynamic process conditions was developed. The method is based on cumulated mass balances using a moving av. method. Elemental balances were used to test the measured cumulated quant ...
