Search results for "simulation"
showing 10 items of 5095 documents
A novel thermoeconomic analysis under dynamic operating conditions for space heating and cooling systems
2019
Abstract Thermoeconomic analysis allows for a deep understanding of the cost formation process within an energy system, providing insights into the possible routes for improvement. Several thermoeconomic approaches are well-established for application in systems with steady operating conditions, such as power plants, while a limited number of applications to air-conditioning systems in buildings have been proposed, due to the difficulties in dealing with very irregular load profiles and unsteady plant operating conditions. This study investigates the potential of Thermoeconomics as a support for decision making in building energy systems, proving its capability to identify trade-offs betwee…
QM/MM Determination of Kinetic Isotope Effects for COMT-Catalyzed Methyl Transfer Does Not Support Compression Hypothesis
2004
Secondary alpha-D3 kinetic isotope effects calculated by the hybrid AM1/TIP3P/CHARMM method for the reaction of S-adenosylmethionine with catecholate anion in aqueous solution and catalyzed by rat liver catechol O-methyltransferase at 298 K are 0.94 and 0.85, respectively, in good accord with experiment. The large inverse effect for the enzymatic reaction is not due to compression but arises from significant increases in the stretching and bending force constants involving the isotopically substituted atoms of the transferring methyl group as between the reactant complex and the transition structure, larger than for the reaction in water.
Mapping the network of pathways of CO diffusion in myoglobin.
2010
The pathways of diffusion of a CO molecule inside a myoglobin protein and toward the solvent are investigated. Specifically, the three-dimensional potential of mean force (PMF or free energy) of the CO molecule position inside the protein is calculated by using the single-sweep method in concert with fully resolved atomistic simulations in explicit solvent. The results are interpreted under the assumption that the diffusion of the ligand can be modeled as a navigation on the PMF in which the ligand hops between the PMF local minima following the minimum free energy paths (MFEPs) with rates set by the free energy barriers that need to be crossed. Here, all the local minima of the PMF, the MF…
Evaluation of Hemodynamic Parameters for Adaptive Control of the Artificial Heart by Simulation of the Vascular System
1984
Abstract A nonlinear dynamic mathematical model of the cardiovascular system is outlined, which is employable to analyse the hemodynamic system behaviour under normal as well as under pathological conditions. By modifying this model, assuming that cardiac output is constant at a preset level (which is in accordance with most of the total artificial heart systems, since their pumps output is preselected with fixed driving parameters), the hemodynamic behaviour of a circulation system with an artificial heart was simulated. Comparing the simulation results with those obtained from total artificial heart experiments, a good agreement in right atrial and aortic pressure under exercise condition…
Educational innovation in basic and advanced cardiopulmonary resuscitation in pediatrics and neonatology in a realistic context
2018
Introducción: El profesor universitario debe transmitir las habilidades técnicas y cognitivas sobre reanimación cardiopulmonar (RCP) en Pediatría con el método más efectivo. Metodología: 17 clases prácticas de Resucitación Cardiopulmonar de 2 horas para 225 alumnos. Se impartió el 2º curso de Enfermería Pediátrica de la Universidad de Valencia. Cada clase consistió en 3 casos clínicos en los que participaron 15 estudiantes y 3 monitores. El conocimiento de los estudiantes se evaluó con prueba-repetición de 11 preguntas y la satisfacción después de la simulación (cuestionario de 20 preguntas). Resultados: la media de satisfacción de los alumnos fue de 8,62 sobre 10 puntos. La evaluación de l…
Clinical simulation: innovative educational project in basic cardiopulmonary resuscitation and advanced in pediatrics and neonatology
2019
[EN] Introduction: Nowadays, clinical simulation could be a key link in the teaching and learning of different procedures. Methodology: It is a quasi-experimental study, using three evaluation questionnaires as a method to collect the respective information to the acquisition of competences and satisfaction of the students regarding a theoretical-practical training on pediatric and neonatal CPR for students of 2nd year Nursing the University of Valencia. To this end, 17 RCP laboratories formed by 228 students were carried out. Results: The students gave a great reception to this project, giving it a score of 8.82 (SD 0.42) out of 10. The most valued item (by the students) was that in which …
New fitting scheme to obtain effective potential from Car-Parrinello molecular dynamics simulations: Application to silica
2008
A fitting scheme is proposed to obtain effective potentials from Car-Parrinello molecular dynamics (CPMD) simulations. It is used to parameterize a new pair potential for silica. MD simulations with this new potential are done to determine structural and dynamic properties and to compare these properties to those obtained from CPMD and a MD simulation using the so-called BKS potential. The new potential reproduces accurately the liquid structure generated by the CPMD trajectories, the experimental activation energies for the self-diffusion constants and the experimental density of amorphous silica. Also lattice parameters and elastic constants of alpha-quartz are well-reproduced, showing th…
On Approximation of Entropy Solutions for One System of Nonlinear Hyperbolic Conservation Laws with Impulse Source Terms
2010
We study one class of nonlinear fluid dynamic models with impulse source terms. The model consists of a system of two hyperbolic conservation laws: a nonlinear conservation law for the goods density and a linear evolution equation for the processing rate. We consider the case when influx-rates in the second equation take the form of impulse functions. Using the vanishing viscosity method and the so-called principle of fictitious controls, we show that entropy solutions to the original Cauchy problem can be approximated by optimal solutions of special optimization problems.
Boundary value steady solutions of a class of hydrodynamic models for vehicular traffic flow
2003
This paper deals with the solution of a boundary value problem related to a steady nonuniform description of a class of traffic flow models. The models are obtained by the closure of the mass conservation equation with a phenomenological relation linking the local mass velocity to the local density. The analysis is addressed to define the proper framework toward the identification of the parameter characterizing the model. The last part of the paper develops a critical analysis also addressed to the design of new traffic flow models.
Stellar hydrodynamics with glaister's riemann solver: An approach to the stellar collapse
1990
La resolution de Remann approximee de la solution des equations d'Euler de la dynamique des gaz 1 D, developpee par Glaister P. (1988, J. Comput. Phys., 74) est introduite dans un code hydrodynamique lagrangien et appliquee a l'effondrement stellaire a symetrie spherique