Article Abstract:
A combination of a pressure-controlled scanning calorimetry (PCSC) and Monte Carlo simulations (MCS) is used in the determination of the Joule-Thomson inversion curve (JTIC) with high accuracy over wide ranges of pressures and temperature. A combination of direct experimental technique with molecular simulations has permitted to better understand the complex behavior of the Joule-Thomson inversion phenomenon over wide range of pressure and temperature.
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Article Abstract:
Monte Carlo simulations were performed within a model based on a set of distance-dependent effective potentials, which are used to describe the interactions between a pair of distinct amino acids. The model has a reduced number of variables and its main is the use of effective pair potentials (EPPs) extracted from experimental correlation functions that were obtained from the crystallographic data of the Protein Data Bank (PDB).
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Article Abstract:
Mesoscopic simulations of linear and 3-arm star poly(styrene)-poly(isoprene) block copolymers are performed using a representation of the polymeric molecular structures by means of Gaussian models. The results have validated the Gaussian chain models and mesoscopic parameters used for the polymers
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