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Physical Relevance (physical + relevance)
Selected AbstractsMulti-variable parameter estimation to increase confidence in hydrological modellingHYDROLOGICAL PROCESSES, Issue 2 2002Sten Bergström Abstract The expanding use and increased complexity of hydrological runoff models has given rise to a concern about overparameterization and risks for compensating errors. One proposed way out is the calibration and validation against additional observations, such as snow, soil moisture, groundwater or water quality. A general problem, however, when calibrating the model against more than one variable is the strategy for parameter estimation. The most straightforward method is to calibrate the model components sequentially. Recent results show that in this way the model may be locked up in a parameter setting, which is good enough for one variable but excludes proper simulation of other variables. This is particularly the case for water quality modelling, where a small compromise in terms of runoff simulation may lead to dramatically better simulations of water quality. This calls for an integrated model calibration procedure with a criterion that integrates more aspects on model performance than just river runoff. The use of multi-variable parameter estimation and internal control of the HBV hydrological model is discussed and highlighted by two case studies. The first example is from a forested basin in northern Sweden and the second one is from an agricultural basin in the south of the country. A new calibration strategy, which is integrated rather than sequential, is proposed and tested. It is concluded that comparison of model results with more measurements than only runoff can lead to increased confidence in the physical relevance of the model, and that the new calibration strategy can be useful for further model development. Copyright © 2002 John Wiley & Sons, Ltd. [source] Large eddy simulation of turbulent flows via domain decomposition techniques.INTERNATIONAL JOURNAL FOR NUMERICAL METHODS IN FLUIDS, Issue 4 2005Part 1: theory Abstract The present paper discusses large eddy simulations of incompressible turbulent flows in complex geometries. Attention is focused on the application of the Schur complement method for the solution of the elliptic equations arising from the fractional step procedure and/or the semi-implicit discretization of the momentum equations in velocity,pressure representation. Fast direct and iterative Poisson solvers are compared and their global efficiency evaluated both in serial and parallel architecture environments for model problems of physical relevance. Copyright © 2005 John Wiley & Sons, Ltd. [source] Volume-translated equations of state: Empirical approach and physical relevanceAICHE JOURNAL, Issue 6 2003Leonid V. Yelash The volume translation technique is widely applied in chemical engineering modeling of phase behavior and thermodynamic properties. This empirical correction of the molar volume improves the correlation of liquid densities when cubic equations of state are employed. Based on a recently proposed method of analyzing equations of state, the influence of the volume translation on the properties obtained from an equation of state, such as virial coefficients, as well as on the phase behavior, critical properties, the isobaric thermal expansion coefficient, and the heat capacities of pure substances is investigated. The influence of different kinds of temperature-dependent volume translations is investigated and compared to approaches that originate from theoretical considerations. The investigation shows that empirical as well as theoretical approaches for the development of equations of state can exhibit nonphysical behavior. However, the understanding of the reasons for such problems can help to develop reliable equations of state based on both kinds of method. [source] Population balance modeling of aggregation kinetics of recombinant human interleukin-1 receptor antagonistJOURNAL OF PHARMACEUTICAL SCIENCES, Issue 12 2005Eva Y. Chi Abstract The kinetics of benzyl alcohol-induced nonnative aggregation of recombinant human interleukin-1 receptor antagonist (rhIL-1ra) were investigated using a population balance model. Steady-state size distributions of rhIL-1ra aggregates formed in a continuous mixed suspension, mixed product removal (MSMPR) reactor were measured and used to extrapolate aggregate nucleation and growth rates parameters. Aggregate growth rate was size-dependent and a linear growth rate model was used to derive a population density function. Addition of 0.9 wt/v% benzyl alcohol increased the nucleation rate by approximately four orders of magnitude. The growth rate for aggregates, however, changed little as a function of benzyl alcohol concentration in the range of 0,0.9%. The addition of sucrose to buffer containing 0.9% benzyl alcohol decreased rhIL1-ra nucleation rate by orders of magnitude and had little impact on growth rate kinetics. The simplicity of the population balance model and the physical relevance of the information obtained from this model render it a useful tool to study protein aggregation kinetics and the effects of excipients on this process. © 2005 Wiley-Liss, Inc. and the American Pharmacists Association J Pharm Sci 94:2735,2748, 2005 [source] | |||||||||||||