Direct molecular-level Monte Carlo simulation of Joule—Thomson processes

We present an application of the recently developed constant enthalpy-constant pressure Monte Carlo method [SMITH, W. R., and LÍSAL, M., 2002, Phys. Rev. E, 66, 01114] for the direct simulation of Joule-Thomson expansion processes using a molecular-level system model. For the alternative refrigerant HFC-32 (CH_{2F 2}), we perform direct simulations of the isenthalpic integral Joule-Thomson effect (temperature drop) resulting from Joule-Thomson expansion from an initial pressure to the representative final pressure of 1 bar. We consider representative expansions from single-phase states yielding final states in both single-phase and two-phase regions. We also predict the dependence of T(P, h) and of the Joule-Thomson coefficient, μ (P, h), on pressure along several representative isenthalps, as well as points on the Joule-Thomson inversion curve. HFC-32 is modelled using a five-site potential taken from the literature, with parameters derived from ab initio calculations and vapour-liquid equilibrium data. The simulated results show excellent agreement with those calculated from an international standard equation of state.     

Prediction of the viscosity of dense fluid mixtures

The Vesovic-Wakeham (VW) method of predicting the viscosity of dense fluid mixtures has been improved by implementing new mixing rules based on the rigid sphere formalism. The proposed mixing rules are based on both Lebowitz's solution of the Percus-Yevick equation and on the Carnahan-Starling equation. The predictions of the modified VW method have been compared with experimental viscosity data for a number of diverse fluid mixtures: natural gas, hexane + hheptane, hexane + octane, cyclopentane + toluene, and a ternary mixture of hydrofluorocarbons (R32 + R125 + R134a). The results indicate that the proposed improvements make possible the extension of the original VW method to liquid mixtures and to mixtures containing polar species, while retaining its original accuracy.     

润滑条件下铜锌合金表面粗糙度对磨损率的影响

采用基于原位全息显微技术和放射性核素技术的试验装置对润滑条件下的Cu Zn36和100Cr6进行了摩擦磨损试验,分析了Cu Zn36在试验过程中的摩擦磨损特性,以及摩擦系数、磨痕表面粗糙度和实时磨损率之间的关系,进而建立了关于表面粗糙度的磨损模型,并通过拟合优度方法对磨损模型进行了评价.结果表明:在试验磨合的初始阶段,Cu Zn36表面平整性被迅速破坏而产生了较高的磨损率,随着试验的进行,磨痕表面的强化层逐渐形成,表面粗糙度和实时磨损率逐渐降低并趋于稳定.磨损模型的拟合优度R2的计算结果为90.23%,说明建立的磨损模型能够对给定工况下的实时磨损率进行较为准确的预测.     

Pointwise error estimates for a streamline diffusion scheme on a Shishkin mesh for a convection-diffusion problem

We analyze a streamline diffusion scheme on a special piecewiseunform mesh for a model time-dependent convection–diffusionproblem. The method with piecewise linear elements is shownto be convergent, independently of the diffusion parameter,with a pointwise accuracy of almost order 5/4 outside the boundarylayer and almost order 3/4 inside the boundary layer. Numericalresults are also given. stynes{at}bureau.ucc.ie     

A Sol Gel Glucose Biosensor with an Oxygen Optode as the Transducer

An optic biosensor for the continuous determination of glucose in beverage based on the canalization of glucose oxidation into sol-gel is presented. The enzyme was entrapped within a glass matrix by sol gel method.     

An integral equation and Monte Carlo study of homo- and hetero- nuclear square-well diatomic fluids

Square-well homo-nuclear and hetero-nuclear diatomic fluids are studied using the Ornstein-Zernike equation and the recently proposed RHNC-VM closure. Monte Carlo canonical simulations have been performed to complete recent literature simulation data. The integral equation thermodynamic and structural results are compared with these and literature simulation data at three elongations over a large range of densities and temperatures. The RHNC-VM theory agrees excellently with the simulation thermodynamic and structural results. Its accuracy revealed slight errors in simulation data in work by Lisal and Nezbeda [1999, Molec. Phys., 96, 335]. The data have been re-simulated.     

FISHING YIELD,CURVATURE AND SPATIAL BEHAVIOR: IMPLICATIONS FOR MODELING MARINE RESERVES

ABSTRACT. Given a paucity of empirical data, policymakers are forced to rely on modeling to assess potential impacts of creating marine reserves to manage fisheries. Many modeling studies of reserves conclude that fishing yield will increase (or decrease only modestly) after creating a reserve in a heavily exploited fishery. However, much of the marine reserves modeling ignores the spatial heterogeneity of fishing behavior. Contrary to empirical findings in fisheries science and economics, most models assume explicitly or implicitly that fishing effort is distributed uniformly over space. This paper demonstrates that by ignoring this heterogeneity, yield‐per‐recruit models systematically overstate the yield gains (or understate the losses) from creating a reserve in a heavily exploited fishery. Conversely, at very low levels of exploitation, models that ignore heterogeneous fishing effort overstate the fishing yield losses from creating a reserve. Starting with a standard yield‐per‐recruit model, the paper derives a yield surface that maps spatially differentiated fishing effort into total long‐run fishing yield. It is the curvature of this surface that accounts for why the spatial distribution of fishing effort so greatly affects predicted changes from forming a reserve. The results apply generally to any model in which the long‐run fishing yield has similar curvature to a two‐patch Beverton‐Holt model. A simulation of marine reserve formation in the California red sea urchin fishery with Beverton‐Holt recruitment, eleven patches, and common larval pool dispersal dynamics reinforces these results.