Vapor-Liquid Equilibrium Simulation of Binary and Ternary Mixtures of CH_4,C_2H_4 and iso-C_4H_(10)

The vapor-liquid equilibrium(VLE) properties for the binary and ternary mixtures of CH4,C2H4 and isoC4H10 are of great importance in the recovery of ethylene from mixture containing CH4 and C2H4 with iso-C4H10 as solvent.Hence,Gibbs ensemble Monte Carlo(GEMC) simulations were used to estimate vapor-liquid equilibrium for the binary and ternary mixtures of CH4,C2H4 and iso-C4H10 with the united atom potential NERD model.The selected simulation conditions are based on the experiment in the literature.The results of this work were shown to be in satisfactory agreement with available experimental data and predictions of Peng-Robinson equation of state.The structure of simulated liquid phase is also characterized by radial distribution function(RDF),which contributes to further understanding of the VLE curve of these systems.RDF is not sensitive to the pressure and temperature range.With the increase of pressure or the decrease of temperature,the molecules tend to gather together.

THE EXTRACTION EQUILIBRIUM MODEL AND SIMULATION OF COUNTERCURRENT SOLVENT EXTRACTION OF Gd-Tb-Dy-HCl-HEH(EHP)-KEROSENE SYSTEM

The extraction equilibrium mathematic models for gadolinium,terbium and dysprosium in HCl-1.5 mol/L HEH(EHP)system covering a relatively wide range of lanthanide concentration and acidity,have been developed.There are four independent variables and nine parameters.The average relative error is 4.56%.A computer program for the simulation of the counter current solvent extraetion process has also been written.Thus,the Gd,Tb and Dy concentrations in both aqueous and organic phase in eaeh stage as well as the aqueous acidity may be calculated.Product purities,distribution ratio and extraction factors may also be obtained thereby.The simulation results so obtained may serve as the referenee data for designing solvent ex- traction processes including those processes providing apart from the conventional outgoing organic stream, outgoing raffinate and an extra outgoing third exit stream either organic or aqueous.

Thermodynamic simulation of complex Pb-Bi concentrate oxidative bath smelting process

The element partitioning in a Pb-Bi concentrate oxygen-rich bath smelting process was studied using thermodynamic equilibrium simulation method. Effects of oxygen to feed ratio(OFR) and sulfur dioxide partial pressure(pSO2) on the partitionings of Bi, Pb, As, Sb, Cu and Ag were analyzed and compared with industrial data. The results suggested that the optimal OFR was between 6.3 and 6.8 kmol/t to maximize Bi, Pb, Cu and Ag partitioning in the metal phase. Further increase of OFR led to the drop of metal partitioning and increase of slag liquidus temperature. High pSO2 led to high deportment of Bi and Pb in the gas phase mainly in the form of sulfides, suggesting that a low pSO2 was conducive for reducing the dust ratio.

Study of Plasma MHD Equilibrium in HL-2A Tokamak

In an axisymmetric toroidal system, the MHD equilibrium Grad-Shafranov equation can be written as

Economic Effects of China’s Import Expansion Strategy

Since 2018,China has enacted a string of policy initiatives to increase imports.To quantify this import expansion strategy’s economic effects,we created a large numerical general equilibrium model and quantitatively simulated the economic effects of the reductions of tariff and non-tariff barriers on China and other economies.Our simulation results show that overall,China’s import expansion strategy benefited both itself and others and contributed to employment,welfare,and trade growth in China and the rest of the world.In relative terms,however,China’s import expansion strategy benefited other countries more than it did itself and contributed more to the growth of the world economy.Additionally,the import expansion strategy may effectively promote China’s trade balance,and the trade equilibrium effect driven by the reduction of non-tariff barriers is more significant than that of tariff barriers.Furthermore,regarding the self-benefiting effects of import expansion,the effects of nontariff measures are significantly greater than those of tariff measures,and this result has policy implications for China’s import expansion strategy going forward.

SENSITIVITY OF PRECIPITATION TO SEA SURFACE TEMPERATURE AND ITS DIURNAL VARIATION:A PARTITIONING ANALYSIS BASED ON SURFACE RAINFALL BUDGET

The sensitivity of precipitation to sea surface temperature(SST) and its diurnal variation is investigated through a rainfall partitioning analysis of two-dimensional cloud-resolving model experiments based on surface rainfall budget.For all experiments,the model is set up using zero vertical velocity and a constant zonal wind and is integrated over 40 days to reach quasi-equilibrium states.The 10-day equilibrium grid-scale simulation data and a time-invariant SST of 29°C are used in the control experiment.In the sensitivity experiments,time-invariant SSTs are 27°C and 31°C with an average value of 29°C when the minimum and maximum values of diurnal SST differences are 1°C and 2°C,respectively.The results show that the largest contribution to total rainfall is from the rainfall with water vapor convergence and local atmospheric drying and hydrometeor gain/divergence(~30%) in all experiments.When SST increases from 27°C to 29°C,the contribution from water vapor convergence decreases.The increase of SST reduces the contribution of the rainfall with water vapor convergence primarily through the decreased contribution of the rainfall with local atmospheric drying and hydrometeor gain/divergence and the rainfall with local atmospheric moistening and hydrometeor loss/convergence.The inclusion of diurnal variation of SST with the diurnal difference of 1°C decreases the rainfall contribution from water vapor convergence primarily through the decreased contribution of the rainfall with local atmospheric moistening and hydrometeor loss/convergence.The contribution of the rainfall from water vapor convergence is barely changed as the diurnal difference of SST increases from 1°C to 2°C.

Development of Future Generations:Oriented Virtual Negotiation Support System for Intergenerational Conflict

Intergenerational conflict coordination is the fundamental requirement and core of sustainable development. In this paper, through the analysis of the future generations-oriented management mechanisms for intergenerational conflict, the idea of mechanisms and institution building for the coordination and management of intergenerational conflict is put forward. Furthermore, the future generations-oriented virtual negotiation support system (NSS) for intergenerational conflict is developed, built on the analysis of the process simulation of intergenerational wealth transfer, intergenerational equilibrium allocation of resources, and strategies for the mitigation and avoidance of intergenerational conflict, through the application of advanced IT technology. The virtual NSS for intergenerational conflict is helpful to the practical application of the sustainable development theory; on the other hand, it can be applied directly to the intergenerational equilibrium allocation of resources, national economic accounting, formulation of sustainable development strategies and other urgent national economic and social development issues. Finally, the sustainable development theory can be enriched and extended. Therefore, the development of the future generations-oriented virtual NSS for intergenerational conflict has certain theoretical and practical effects on the theory of sustainable development.

Lattice Thermal Conductivity of Boron Nitride Nanoribbon from Molecular Dynamics Simulation

The lattice thermal conductivity of boron nitride nanoribbon（BNNR） is calculated by using equilibrium molecular dynamics（EMD） simulation method. The Green–Kubo relation derived from linear response theory is used to acquire the thermal conductivity from heat current auto-correlation function（HCACF）. HCACF of the selected BNNR system shows a tendency of a very fast decay and then be followed by a very slow decay process,finally,approaching zero approximately within 3 ps. The convergence of lattice thermal conductivity demonstrates that the thermal conductivity of BNNR can be simulated by EMD simulation using several thousands of atoms with periodic boundary conditions. The results show that BNNR exhibit lower thermal conductivity than that of boron nitride（BN） monolayer,which indicates that phonons boundary scatting significantly suppresses the phonons transport in BNNR. Vacancies in BNNR greatly affect the lattice thermal conductivity,in detail,only 1% concentration of vacancies in BNNR induce a 60% reduction of the lattice thermal conductivity at room temperature.