Enviaments recents

  • Experimental and topological determination of the pressure-temperature phase diagram of morniflumate, a pharmaceutical ingredient with anti-inflammatory properties 

    Barrio Casado, María del; Tamarit Mur, José Luis; Céolin, René; Robert, Benoit; Guechot, C.; Teulon, J.M.; Rietveld, Ivo B. (2017-09-01)
    Article
    Accés restringit per política de l'editorial
    The pressure-temperature phase diagram of morniflumate (niflumic acid ß-morpholinoethyl ester) has been obtained by high-pressure thermal analysis. In addition, calorimetric melting data (TI¿L = (348.1 ± 0.4) K and ¿HI¿L ...
  • A new intermediate polymorph of 1-fluoro-adamantane and its second-order-like transition toward the low temperature phase 

    Yuan, Lina; Clevers, Simon; Burel, Antoine; Negrier, Philippe; Barrio Casado, María del; Ben Hassine, Bacem; Mondieig, Denise; Dupray, Valérie; Tamarit Mur, José Luis; Coquerel, Gerard (2017-06-07)
    Article
    Accés restringit per política de l'editorial
    Phase transitions of 1-fluoro-adamantane have been thoroughly investigated by temperature-resolved second harmonic generation (TR-SHG) and X-ray powder diffraction (XRPD). A new polymorph - an intermediate centrosymmetric ...
  • Melting of orientational degrees of freedom 

    Aznar Luque, Araceli; Lloveras Muntané, Pol Marcel; Barrio Casado, María del; Tamarit Mur, José Luis (2017-05)
    Article
    Accés obert
    We use calorimetry and dilatometry under hydrostatic pressure, X-ray powder diffraction and available literature data in a series of composition-related orientationally disordered (plastic) crystals to characterize both ...
  • Plastic deformation induced anisotropy in metallic glasses: A molecular dynamics study 

    Velasco Cruz, Jorge Enrique; Concustell, Amadeu; Pineda Soler, Eloi; Crespo Artiaga, Daniel (2017-06-15)
    Article
    Accés restringit per política de l'editorial
    The atomic structure of a Cu13Ni34Pd53 metallic glass was studied by molecular dynamics simulation at different temperatures along a shear deformation cycle. A simulation box of 1 million atoms was deformed in the x axis ...
  • Pitfalls and feedback when constructing topological pressure-temperature phase diagrams 

    Céolin, René; Toscani, Siro; Rietveld, Ivo B.; Barrio Casado, María del; Tamarit Mur, José Luis (2017-04-18)
    Article
    Accés obert
    The stability hierarchy between different phases of a chemical compound can be accurately reproduced in a topological phase diagram. This type of phase diagrams may appear to be the result of simple extrapolations, however, ...
  • Thermal expansion of L-ascorbic acid 

    Nicolaï, Béatrice; Barrio Casado, María del; Tamarit Mur, José Luis; Céolin, René; Rietveld, Ivo B. (2017-04-01)
    Article
    Accés obert
    The specific volume of vitamin C has been investigated by X-ray powder diffraction as a function of temperature from 110¿K up to complete degradation around 440¿K. Its thermal expansion is relatively small in comparison ...
  • Orientational order in the stable buckminster fullerene solvate C60·2CBr2H2 

    Ye, Jin; Barrio Casado, María del; Negrier, Philippe; Qureshi, Navid; Rietveld, Ivo B.; Céolin, René; Tamarit Mur, José Luis (2017-04-01)
    Article
    Accés obert
    Crystals of the solvate C60·2CBr2H2 (monoclinic C2/m), which is stable in air, were grown by slow evaporation of solutions of C60 in CBr2H2 at room temperature. The high enthalpy change for the complete desolvation process, ...
  • Modelling human behaviour in a bumper car ride using molecular dynamics tools: a student project 

    Buendía Morales, Jorge Juan; López Ospina, Hector; Sanchis, Guillem; Pardo Soto, Luis Carlos (2017-05-01)
    Article
    Accés obert
    Amusement parks are excellent laboratories of physics, not only to check physical laws, but also to investigate if those physical laws might also be applied to human behaviour. A group of Physics Engineering students from ...
  • Estudi de les colradures sobre or i plata del retaule barroc de sant Ruf de la catedral de Santa Maria de Tortosa 

    Clemente Martínez, Carme; Salvadó Cabré, Nativitat; Buti Papiol, Salvador; Pradell Cara, Trinitat (2015-07)
    Article
    Accés obert
    Els segles XVII i XVIII són el moment de màxim esplendor a tota Europa en l’ús de les colres de colors. La tècnica de les colres de colors sobre fulls d’or o plata de l’època barroca està poc estudiada des del punt de ...
  • Pressure-temperature phase diagram of the dimorphism of the anti-inflammatory drug nimesulide 

    Barrio Casado, María del; Huguet, Jordi; Robert, B.; Rietveld, Ivo B.; Céolin, René; Tamarit Mur, José Luis (2017-06-15)
    Article
    Accés obert
    Understanding the phase behavior of active pharmaceutical ingredients is important for formulations of dosage forms and regulatory reasons. Nimesulide is an anti-inflammatory drug that is known to exhibit dimorphism; however ...

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