Effective simulation methods are becoming critically essential for the analysis of integrated energy systems (IESs) to reveal interactions multiple carriers. The incorporation various technologies and numerous controllers make IES a heterogeneous system, which poses new challenges methods. This paper focuses on an with hybrid continuous-discrete properties characteristics. First, modified third...

This demo provides a preview of a pre-release version of CyPhySim, an open-source simulator for cyber-physical systems. This simulator supports discrete-event models, quantized-state simulation of continuous dynamics, the Functional Mockup Interface (FMI), classical (RungeKutta) simulation of continuous dynamics, modal models (hybrid systems), discrete-time (periodic) systems, and algebraic loo...

medicinal chemistry depends on many other disciplines ranging from organic chemistry andpharmacology to computational chemistry. typically medicinal chemists use the moststraightforward ways to prepare compounds. the validation of any design project comes from thebiological testing.studies of the binding site of vinblastine by a single cross—linking experiment identified it asbeing between resi...

five-zone simulating moving bed (smb) system, designed for ternary separation, is a modified form of standard four-zone smb which is only effective in binary separation. it was reported in literature that the five-zone smb separates the extract-ii stream with a lower purity value than that of raffinate and extract-i streams. to address this issue, five zone smb was designed, using safety margin...

molecular dynamics simulation has been performed to analyze the effect of the presence of gold nanoparticle on dynamics of kob-anderson binary lennard-jones (blj) mixture upon supercooling within the framework of the mode coupling theory of the dynamic glass transition. the presence of gold nanoparticle has a direct effect on the liquid structure and causes the peaks of the radial distribution ...

because of participation in many aspects of human life, and due to oxidation-sensitive characteristics of dopamine (da) and arachidonoyl dopamine (aa-da), the necessity of biocompatible carrier to keep them against oxidation is of importance. in this work, we explored the putative binding sites of da and aa-da to -lactoglobulin (blg) as potent carrier. docking results identified the binding si...

in this work, a molecular dynamics simulation of the transport of water - methanol mixture through the single wall carbon nanotube (swcnt) is reported. methanol and water are selected as fluid molecules since water represents a strongly polar molecule while methanol is as an intermediate between polar and strongly polar molecules. some physical properties of the methanol-water mixture such as r...

in this report, we describe a procedure for in-silico design of a novel haloalkane dehalogenase protein that exhibits luciferase property which can be potentially used in biosensor applications. from a pdb blast search, the selected haloalkane dehalogenase (pdb code: 1ede) had a close structural homology with a lucifearse (pdb code: 2psj chain a) sharing an identity of 33%. initially, the amino...

A new, accelerated algorithm for a system of elastic hard-spheres in which one of the particles (a colloid) is significantly heavier than the others is presented. The algorithm follows the framework of the stochastic heterogeneous multiscale method. It is shown that, in the limit in which the ratio between the light and the heavy particles approaches zero, the dynamics of the colloid is given b...