The Physics of Liquid Para-Hydrogen

Macroscopic systems of hydrogen molecules exhibit a rich thermodynamic phase behavior. Due to the simplicity of the molecular constituents a detailed exploration of the thermal properties of these boson systems at low temperatures is of fundamental interest. Here,we report theoretical and experimental results on various spatial correlation functions and corresponding distributions in momentum space of liquid para-hydrogen close to the triple point. They characterize the structure of the correlated liquid and provide information on quantum effects present in this Bose fluid. Numerical calculations employ Correlated Density-Matrix(CDM)theory and Path-Integral Monte-Carlo(PIMC)simulations. A comparison of these theoretical results demonstrates the accuracy of CDM theory. This algorithm therefore permits a fast and efficient quantitative analysis of the normal phase of liquid para-hydrogen.We compare and discuss the theoretical results with available experimental data.Comment: 14 pages, 7 figure

Anomalous temperature dependence of the first diffraction peak in vitreous boron trioxide

11 págs.; 9 figs.The temperature dependence of the parameters characterizing the first peak in the S(Q) and S(Q,E=0) diffraction patterns of vitreous boron trioxide is considered in some detail. The analysis of the experimental spectra is aided by results derived from molecular-dynamics simulations, which enable us to isolate the most relevant features driving the variation with temperature of both structure factors. The relevance of the present results regarding some recent phenomenological approaches developed towards the understanding of the dynamics of glasses at intermediate temperatures is finally discussed. ©1996 American Physical SocietyWork was performed in part under D.G.I.C.Y.T (Spain) Grant No. PB92-0114-C03-01. Financial support from the Large Scale Facilities Programme of the European Union for the measurements carried at Risoe National Laboratory (Denmark) is acknowledged. J.D. wishes to thank CONICET (Argentina) and CSIC (Spain) for financial support.Peer Reviewe

Static structure factor of liquid parahydrogen

7 págs.; 5 figs. ; PACS number~s!: 61.20.2p, 61.12.2q, 78.70.2gThe single-differential neutron-scattering cross section of liquid parahydrogen has been measured at 15.2 K and 2 bars of applied pressure by means of low-energy neutron diffraction. Our experimental conditions enable the direct observation of the peak of the liquid structure factor and therefore largely improve the signal-to-noise ratio with respect to measurements carried out using higher-energy neutron diffraction. This avoids the need of performing corrections of approximate nature to the measured cross section that is dominated by molecular rotational components if measured by conventional neutron diffraction. ©2004 American Physical SocietyPeer Reviewe

Water envelope has a critical impact on thedesign of protein-protein interaction inhibitors

We show that a water envelope network plays a critical role in protein-protein interactions (PPI). The potency of a PPI inhibitor is modulated by orders of magnitude on manipulation of the solvent envelope alone. The structure-activity relationship of PEX14 inhibitors was analyzed as an example using in silico and X-ray data

Historical (1750 - 2014) anthropogenic emissions of reactive gases and aerosols from the Community Emission Data System (CEDS)

We present a new data set of annual historical (1750–2014) anthropogenic chemically reactive gases (CO, CH4, NH3, NOX, SO2, NMVOC), carbonaceous aerosols (BC and OC), and CO2 developed with the Community Emissions Database System (CEDS). We improve upon existing inventories with a more consistent and reproducible methodology applied to all emissions species, updated emission factors, and recent estimates through 2014. The data system relies on existing energy consumption data sets and regional and country-specific inventories to produce trends over recent decades. All emissions species are consistently estimated using the same activity data over all time periods. Emissions are provided on an annual basis at the level of country and sector and gridded with monthly seasonality. These estimates are comparable to, but generally slightly higher than, existing global inventories. Emissions over the most recent years are more uncertain, particularly in low- and middle-income regions where country-specific emission inventories are less available. Future work will involve refining and updating these emission estimates, estimating emissions uncertainty, and publication of the system as open source software

Cogeneration system based on the Capstone C30 gas microturbine

W 2008 r. w Ośrodku Szkoleniowo-Badawczym w Zakresie Energii Odnawialnej w Ostoi koło Szczecina zainstalowano układ kogeneracyjny o mocy elektrycznej 29 kW i mocy cieplnej 58 kW oparty na mikroturbinie gazowej Capstone C30. Układ ten może pełnić wiele funkcji, w tym: stanowiska badawczego, podstawowego lub awaryjnego źródła energii elektrycznej i cieplnej dla ośrodka, stanowiska dydaktycznego oraz obiektu pokazowego. W komunikacie opisano działanie stanowiska oraz przedstawiono możliwości prowadzenia badań, we współpracy z innymi zainteresowanymi ośrodkami.In 2008, the researchers installed at Training and Research Centre for Renewable Energy in Ostoja near Szczecin a cogeneration system characterised by electric power 29 kW and thermal power 58 kW, based on the Capstone C30 gas microturbine. This system may have multiple functions, including: test stand, basic or emergency electric and thermal energy source for the Centre, teaching post and a demonstration object. The announcement contains description of the stand and presents possibilities to carry out the research in cooperation with other centres interested in the matter