A new Lagrangian—Eulerian coupling model system is developed to study regional air quality. The system consists of mesoscale dynamical meteorological model (MM), Monte—Carlo model (MCM), parameterized model on plane...A new Lagrangian—Eulerian coupling model system is developed to study regional air quality. The system consists of mesoscale dynamical meteorological model (MM), Monte—Carlo model (MCM), parameterized model on planetary boundary layer (PBL) turbulent statistics, dry and wet removal model, and Eulerian nonlinear chemical model (ENCM). The physical, chemical and biological processes on air pollutants are considered comprehensively. 3—D distribution laws tor acidic gaseous pollutants (SO2 and NOx) emitted by Thai Mae Moh Power Plant and the secondary pollutants are studied in detail. The results simulated by the coupling model system are in good agreement with observational concentration data. Key words MM - MCM - ENCM - Coupling model system The authors wish to express their thanks to Prof. Zeng Q. C. for his support to this research and to Dr. Han Z. W. and Zhang M. G. for their help in programming and numerical calculation of IAP, Chinese Academy of Sciences. Thanks are also due to NSTD and EGAT in Thailand for supporting this research.展开更多
An analytical potential for cylindrical pores has been derived by introducing a variational method into the integration for the calculation of the interaction energy between the wall molecules and a test molecule, all...An analytical potential for cylindrical pores has been derived by introducing a variational method into the integration for the calculation of the interaction energy between the wall molecules and a test molecule, all of which are represented by Lennard-Jones potential. The model proposed gives good fit to the results from the cylindrical surface model and the pseudoatom model. To test the potential proposed rigorously, we have carried out grand canonical ensemble Monte Carlo(GCMC) simulation of nitrogen in the MCM-41 pore at 77 K, and compared the simulated adsorption isotherm with the experimental data reported in the literature. The simulated isotherm from our model is in almost qualitative agreement with experiment. Consequently, the model proposed provides an explicit and accurate description of cylindrical pores represented by the Lennard-Jones potential. Moreover, the model can be easily applied to a variety of cylindrical pores, ranging from cylindrical surface to finite thickness walls, in both theoretical studies and computer simulations.展开更多
文摘A new Lagrangian—Eulerian coupling model system is developed to study regional air quality. The system consists of mesoscale dynamical meteorological model (MM), Monte—Carlo model (MCM), parameterized model on planetary boundary layer (PBL) turbulent statistics, dry and wet removal model, and Eulerian nonlinear chemical model (ENCM). The physical, chemical and biological processes on air pollutants are considered comprehensively. 3—D distribution laws tor acidic gaseous pollutants (SO2 and NOx) emitted by Thai Mae Moh Power Plant and the secondary pollutants are studied in detail. The results simulated by the coupling model system are in good agreement with observational concentration data. Key words MM - MCM - ENCM - Coupling model system The authors wish to express their thanks to Prof. Zeng Q. C. for his support to this research and to Dr. Han Z. W. and Zhang M. G. for their help in programming and numerical calculation of IAP, Chinese Academy of Sciences. Thanks are also due to NSTD and EGAT in Thailand for supporting this research.
基金Supported by the National Natural Science Foundation of China (No. 29776004) and the National High Performance Computing Center of China for providing the Dawning 1000A computer (No. 99118).
文摘An analytical potential for cylindrical pores has been derived by introducing a variational method into the integration for the calculation of the interaction energy between the wall molecules and a test molecule, all of which are represented by Lennard-Jones potential. The model proposed gives good fit to the results from the cylindrical surface model and the pseudoatom model. To test the potential proposed rigorously, we have carried out grand canonical ensemble Monte Carlo(GCMC) simulation of nitrogen in the MCM-41 pore at 77 K, and compared the simulated adsorption isotherm with the experimental data reported in the literature. The simulated isotherm from our model is in almost qualitative agreement with experiment. Consequently, the model proposed provides an explicit and accurate description of cylindrical pores represented by the Lennard-Jones potential. Moreover, the model can be easily applied to a variety of cylindrical pores, ranging from cylindrical surface to finite thickness walls, in both theoretical studies and computer simulations.
