Adsorption and Transport at the Nanoscale (Hardcover)

ADSORPTION AND TRANSPORT AT THE NANOSCALE; D. Nicholson and N. Quirke
Adsorption and Characterization
Transport
Summary
References
MODELLING GAS ADSORPTION IN SLIT-PORES USING MONTE CARLO SIMULATION; M.B. Sweatman and N. Quirke
Introduction
Methods
The Gibbs Ensemble
The Grand-Canonical Ensemble
Some Thermodynamics
Phase Coexistence Results
Isotherm Results
Characterization
Summary
Acknowledgments
References
EFFECT OF CONFINEMENT ON MELTING IN SLIT-SHAPED PORES: EXPERIMENTAL AND SIMULATION STUDY OF ANILINE IN ACTIVATED CARBON FIBERS; M. Sliwinska-Bartkowiak, R. Radhakrishnan, and K.E. Gubbins
Introduction
Experimental Method
Molecular Simulation Method
Results
Simulation Results
Discussion and Conclusions
Acknowledgments
References
SYNTHESIS AND CHARACTERIZATION OF TEMPLATED MESOPOROUS MATERIALS USING MOLECULAR SIMULATION; F.R. Siperstein and K.E. Gubbins
Introduction
Simulation Technique
Results
Conclusions
Acknowledgments
References
ADSORPTION/CONDENSATION OF XENON IN MESOPORES HAVING A MICROPOROUS TEXTURE OR A SURFACE ROUGHNESS; R.J-M. Pellenq, B. Coasne, and P.E. Levitz
Introduction
Computational Details
Result and Discussion
Conclusion
Acknowledgments
References
MOLECULAR SIMULATION OF ADSORPTION OF GUEST MOLECULES IN ZEOLITIC MATERIALS: A COMPARATIVE STUDY OF INTERMOLECULAR POTENTIALS; A. Boutin, S. Buttefey, A.H. Fuchs, and A.K. Cheetham
Introduction
Computational Methodologies
Results
Conclusions
Acknowledgments
References
MOLECULAR DYNAMICS SIMULATIONS FOR 1:1 SOLVENT PRIMITIVE MODEL ELECTROLYTE SOLUTIONS; S-H. Suh, J-W. Park, K-R. Ha, S-C. Kim, and J.M.D. Macelroy
Introduction
Model and Computations
Results and Discussion
Conclusion
Acknowledgments
References
COMPUTER SIMULATION OF ISOTHERMAL MASS TRANSPORT IN GRAPHITE SLIT PORES; K. P. Travis and K.E. Gubbins
Introduction
Transport in Single Micropores
Calculation of Transport Properties via Computer Simulation
Simulation Details
Results and Discussion
Summary and Conclusions
Acknowledgments
References
SIMULATION STUDY OF SORPTION OF CO2 AND N2 WITH APPLICATION TO THE CHARACTERIZATION OF CARBON ADSORBENTS; S. Samios, G.K. Papadopoulos, T. Steriotis, and A.K. Stubos
Introduction
Modeling of the Molecular Interactions
Simulation Experiments
GCMC Simulation Results
Pore Size Characterization
Concluding Remarks
Acknowledgments
References
INDEX