用兰纳-琼斯位能和单参数Wilson方程预测汽液平衡

根据兰纳-琼斯位能提出计算Wilson方程中同类分子间能量参数gii的一个简便方法,用于单参数Wilson方程可成功地预测二元体系气液平衡,预测精度与已有方法相当,且仅需要纯物质的Tc,Pc,Zc数据。     

Determination of non-methane hydrocarbon emission factors from vehicles in a Tunnel in Seoul in May 2000

Measurements of non-methane hydrocarbons (NMHC) were performed at the entrance and exit of the Sangdo tunnel to estimate emission factors (EF) of NMHC from vehicles in May 2000. About 50 species were analyzed by a combined GC/FID and GC/MS system. Ethylene was the most abundant compound, followed by n-butane and acetylene, respectively. Based on the measurement data, the real world vehicular EF in Seoul was estimated. The highest EF value was 89.8 mg (veh-mile)^-1 for n-butane, followed by ethylene and toluene.     

Application of the general rate model with the Maxwell-Stefan equations for the prediction of the band profiles of the 1-indanol enantiomers

The adsorption isotherm data of R- and S-1-indanol and of their racemic mixture on cellulose tribenzoate were measured by frontal analysis. These experimental data were fitted to the single-component and the modified competitive Bilangmuir isotherms. The overloaded elution profiles of bands of the pure enantiomers and of the racemic mixture were calculated for different sample sizes, using the best competitive isotherm model and the General Rate Model of chromatography coupled with the generalized Maxwell-Stefan equation that describes the surface diffusion flux. The calculated and the experimental profiles were found to be in excellent agreement in all cases. The parameters of the model of the mass transfer kinetics were derived from the band profiles obtained for the pure enantiomers. The same values of these parameters give an excellent prediction of the profiles of multicomponent bands. The new model described here allows a satisfactory interpretation of the competitive mass transfer kinetics.     

有机试剂结构与性质的研究：Ⅻ.有机试剂的pKa与改进的Hammett方程

有机试剂的ｐＫａ是其重要物化参数，是有机试剂酸碱性的度量，直接决定配合物的稳定性。应用改进的Ｈａｍｍｅｔｔ方程处理取代基常数与ｐＫａ的关系，得到满意的结果。     

New shape factor for corresponding states principle

1 INTRODUCTIONThe CSP(Corresponding States Principle)has been considered to be a useful methodfor the prediction of fluid properties from a minimum amount of information.One ofits form,the shape factor methods is developed through relating the pVT of any interestedpure fluid"a"to that of another"0"by writing     

Langmuir吸附方程的应用

本文总结了Langmuir方程在吸附分离过程中的应用。利用Langmuir方程得到直观表达混合气组分气体间吸附强弱关系及分离的难易程度的x-y图，推导了Lewis关系式。     

Maximum principle for mean-field jump–diffusion stochastic delay differential equations and its application to finance

This paper investigates a stochastic optimal control problem with delay and of mean-field type, where the controlled state process is governed by a mean-field jump–diffusion stochastic delay differential equation. Two sufficient maximum principles and one necessary maximum principle are established for the underlying system. As an application, a bicriteria mean–variance portfolio selection problem with delay is studied to demonstrate the effectiveness and potential of the proposed techniques. Under certain conditions, explicit expressions are provided for the efficient portfolio and the efficient frontier, which are as elegant as those in the classical mean–variance problem without delays.     

A CCD–ADI method for unsteady convection–diffusion equations

With a combined compact difference scheme for the spatial discretization and the Crank–Nicolson scheme for the temporal discretization, respectively, a high-order alternating direction implicit method (ADI) is proposed for solving unsteady two dimensional convection–diffusion equations. The method is sixth-order accurate in space and second-order accurate in time. The resulting matrix at each ADI computation step corresponds to a triple-tridiagonal system which can be effectively solved with a considerable saving in computing time. In practice, Richardson extrapolation is exploited to increase the temporal accuracy. The unconditional stability is proved by means of Fourier analysis for two dimensional convection–diffusion problems with periodic boundary conditions. Numerical experiments are conducted to demonstrate the efficiency of the proposed method. Moreover, the present method preserves the higher order accuracy for convection-dominated problems.     

A composite numerical scheme for the numerical simulation of coupled Burgers’ equation

In this work, a composite numerical scheme based on finite difference and Haar wavelets is proposed to solve time dependent coupled Burgers’ equation with appropriate initial and boundary conditions. Time derivative is discretized by forward difference and then quasilinearization technique is used to linearize the coupled Burgers’ equation. Space derivatives discretization with Haar wavelets leads to a system of linear equations and is solved using Matlab7.0. Convergence analysis of proposed scheme exhibits that the error bound is inversely proportional to the resolution level of the Haar wavelet. Finally, the adaptability of proposed scheme is demonstrated by numerical experiments and shows that the present composite scheme offers better accuracy in comparison with other existing numerical methods.     

Analytical ray tracing system: Introducing art, a C-library designed for seismic applications

Ray tracing technique is an important tool not only to forward but also for inverse problems in Geophysics, which most of the seismic processing steps depend on. However, implementing ray tracing codes can be very time consuming. This article presents a computer library to trace rays in 2.5D media composed by a stack of layers. The velocity profile inside each layer is such that the eikonal equation can be analytically solved. Therefore, the ray tracing within such profile is made fast and accurate. The great advantage of an analytical ray tracing library is the numerical precision of the quantities computed and the fast execution of the implemented codes. Even though ray tracing programs exist for a long time, for example the seis88 package by ?ervený, most of those programs use a numerical approach to compute the ray. Regardless of the fact that numerical methods can solve more general problems, the analytical ones could be part of a more sophisticated simulation process, where the ray tracing time is completely relevant. We demonstrate the feasibility of our codes using several examples (Miqueles et al., 2013)  [1]. The library can also be used for other applications besides seismic, e.g., optics and tomography.