Browsing by Author "Sesé Castel, Gemma"Més informacióMés informació

Now showing items 1-12 of 12

    • Free energy and entropy of a dipolar liquid by computer simulations 

      Palomar, Ricardo; Sesé Castel, Gemma (2018-02-27)
      Article
      Open Access
      Thermodynamic properties for a system composed of dipolar molecules are computed. Free energy is evaluated by means of the thermodynamic integration technique, and it is also estimated by using a perturbation theory approach, ...

    • Incorporació de sistemes de resposta interactiva a la docència presencial 

      Sánchez Carracedo, Fermín; Fonseca, Pau; Delgado Mercè, Jaime; Llorente Viejo, Silvia; Cerda, Llorenç; Llosa Espuny, José Francisco; Álvarez, Carlos; Sesé Castel, Gemma; Bravo Amella, Hector; Moralhelche Piulachs, Jordi (Universitat Politècnica de Catalunya. Institut de Ciències de l'Educació, 2010-02-11)
      Conference lecture / Conference report
      Open Access
      Aquest projecte, de Suport a la Docència, consisteix en la incorporació d’uns comandaments amb botons del 0 al 9 a les classes per tal de donar suport als professors a les seves classes i, d’aquesta manera, avaluar els ...

    • Influence of hydrogen bonds and temperature on dielectric properties 

      Ortiz de Urbina Viade, Jordi; Sesé Castel, Gemma (2016-07-06)
      Article
      Open Access
      Dielectric properties are evaluated by means of molecular dynamics simulations on two model systems made up of dipolar molecules. One of them mimics methanol, whereas the other differs from the former only in the ability ...

    • Ionic association of Na+-Cl-, Na+-Na+ and Cl--Cl- in methanol: mean force potentials and friction kernels 

      Sesé Castel, Gemma; Guàrdia Manuel, Elvira; Padro Cardenas, Joan Angel (1995-08)
      Article
      Restricted access - publisher's policy
      Kinetic investigation of 1-octene bromination in AOT-isooctane-water microemulsions (13 = w = [H2O]/[AOT] = 24 and 6 = z = [IO]/[AOT] = 57) shows that the reaction is first-order in alkene and first-order in bromine, as ...

    • Microscopic dynamics of supercooled low weight alcohols 

      Palomar, Ricardo; Sesé Castel, Gemma (American Institute of Physics (AIP), 2010-07-28)
      Article
      Restricted access - publisher's policy
      Dynamical properties of low weight alcohols have been analyzed both in the liquid and the supercooled states. Realistic interatomic potential models for methanol and ethanol have been used. The influence of temperature on ...

    • Orientational dynamics in methanol: influence of temperature and hydrogen bonding 

      Ortiz de Urbina Viade, Jordi; Sesé Castel, Gemma (2020-03-01)
      Article
      Open Access
      Rotational diffusion has been investigated in methanol by means of molecular dynamics simulations at several temperatures, approaching the supercooled state. Angular velocity autocorrelation functions in the molecule-fixed ...

    • Pràctiques de Laboratori 

      Canales Gabriel, Manel; Trullàs Simó, Joaquim; Ametller Congost, Lluís; Llanta Salleras, Estanislao; Rey Oriol, Rosendo; Casulleras Ambrós, Joaquín; Mazzanti Castrillejo, Fernando Pablo; Boronat Medico, Jordi; Martí Rabassa, Jordi; Guàrdia Manuel, Elvira; Sesé Castel, Gemma; Pastor Satorras, Romualdo (Universitat Politècnica de Catalunya, 2015)
      Practice
      Open Access

    • Programa de Mentories a la FIB - Guia de sessions del GEI 

      Abad Soriano, María Teresa; Sesé Castel, Gemma (Universitat Politècnica de Catalunya, 2019)
      Lecture notes
      Open Access

    • Programa de Mentories FIB - Mètodes i Contingut 

      Abad Soriano, María Teresa; Sesé Castel, Gemma; García Calatrava, Carlos (Universitat Politècnica de Catalunya, 2016)
      Lecture notes
      Open Access

    • Rotational dynamics of a dipolar supercooled liquid 

      Sesé Castel, Gemma; Ortiz de Urbina Viade, Jordi; Palomar, Ricardo (2012-09-17)
      Article
      Open Access
      We study the rotational dynamics of a supercooled molecular liquid by means of molecular dynamics simulations. The system under investigation is composed of rigid diatomic molecules with an associate dipole moment. At room ...

    • Thermodynamic properties of a molecular dipolar liquid using the two-phase thermodynamic approach 

      Palomar, Ricardo; Sesé Castel, Gemma (Royal Society of Chemistry (RSC), 2021)
      Article
      Restricted access - publisher's policy
      A modified version of the original two-phase thermodynamic approach has been extended to evaluate the thermodynamic properties of molecular systems. Its basic assumption states that the density of states can be decomposed ...

    • Una propuesta de mentoría académica entre iguales para el Grado en Ingeniería Informática 

      Abad Soriano, María Teresa; Sesé Castel, Gemma; Fernández Ruzafa, José (Asociación de Enseñantes Universitarios de la Informática (AENUI), 2019)
      Conference report
      Open Access
      En este trabajo presentamos la organización y desarrollo de un programa de mentoría académica entre iguales, Aula Lliure, y algunos de sus resultados, por el momento todavía escasos pero prometedores. Inspirado en ...