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For the sake of simplicity, the release is assumed to be in gaseous phase; the dispersion of the toxic is simulated for the 5 min period following the start of the release using a CFD (Computational Fluid Dynamics) analysis, according to an RANS (Reynolds-Averaged Navier Stokes) approach with the standard k ε turbulence model, assuming no ventilation conditions.
The neurotransmitter release is assumed to be fast in comparison to the timescale of the oscillations (~24 h).
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Results were calculated and compared to the positive control, whereby cells were lysed and 100% LDH release was assumed.
The carapace curve length at release was assumed to be about 20 cm.
The percentage of cytotoxicity was calculated with respect to the positive control wells where 100% lactate dehydrogenase (LDH) release was assumed.
Figure 3a and b show the CFD mesh cells and geometric structure, respectively, in which the gas inlets were identical and the gas outlet was assumed to be released to the completely open cap on top of the reactor.
In this approach the value of the specific surface energy (the critical energy release rate) is assumed to be dependent on a random microdamage distribution in the material.
A distribution of heat release rate is assumed in the gas phase, and the gas phase energy equation is solved iteratively with a convergence criterion set by the interfacial heat flux balance across the burning surface.
In all the cases, values of n < 0.5 indicated that the drug diffusion mechanism is classical, non-Fickian release, which is assumed to be facilitated by the swelling of the clay matrix [29].
In this version of the model, we did not include release sites since this would introduce an extra fit parameter, whereas such an extended model is mathematically equivalent (if immediate availability and recycling of release sites is assumed; see below).
The released lithium is assumed to be vaporized instantaneously in this paper.
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Justyna Jupowicz-Kozak
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