Heat of adsorption and density distribution in slit pores with defective walls: GCMC simulation studies and comparison with experimental data

2007 ◽  
Vol 253 (13) ◽  
pp. 5580-5586 ◽  
Author(s):  
D.D. Do ◽  
D. Nicholson ◽  
H.D. Do
Keyword(s):  
Experimental Data ◽  
Density Distribution ◽  
Heat Of Adsorption ◽  
Simulation Studies ◽  
Gcmc Simulation ◽  
Slit Pores ◽  
Comparison With Experimental Data

Computer simulation of aqueous pore fluids in 2:1 clay minerals

1998 ◽  
Vol 62 (5) ◽  
pp. 657-667 ◽  
Author(s):  
N. T. Skipper
Keyword(s):  
Experimental Data ◽  
Water Systems ◽  
Atomistic Simulations ◽  
Computational Techniques ◽  
Simulation Studies ◽  
Molecular Models ◽  
Pore Fluids ◽  
Future Prospects ◽  
Simulation Techniques ◽  
Comparison With Experimental Data

AbstractMonte Carlo and molecular dynamics computer simulations are now able to provide detailed information concerning the structure, dynamics, and thermodynamics of pore fluids in 2:1 clays. This article will discuss interparticle interaction potentials currently available for atomistic simulations of clay-water systems, and will describe how computational techniques can be applied to modelling of clay systems. Some recent simulation studies of 2:1 clay hydration will then be reviewed. Comparison with experimental data promotes confidence in the molecular models and simulation techniques, and points to exciting future prospects.

scholarly journals Thermodynamic analysis of synthesis of cyclopentanol from cyclopentene and comparison with experimental data

2015 ◽  
Vol 5 (2) ◽  
pp. 135-142 ◽  
Author(s):  
Benzhen Yao ◽  
Zhiqing Wang ◽  
Tiancun Xiao ◽  
Fahai Cao ◽  
Peter P. Edwards ◽  
...  
Keyword(s):  
Experimental Data ◽  
Thermodynamic Analysis ◽  
Comparison With Experimental Data

Dehydration of bioethanol produced from argane pulp using pervaporation membrane process: Experimental, molecular dynamics and GCMC simulation studies

2021 ◽  
Vol 329 ◽  
pp. 115441
Author(s):  
Fatima Zahrae Zouhair ◽  
Mohammed Rachid Kabbour ◽  
Fatima Ebich ◽  
Aouatif Benali ◽  
El haj el Maadoudi ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Simulation Studies ◽  
Membrane Process ◽  
Pervaporation Membrane ◽  
Gcmc Simulation

Development of a Methodology for the Evaluation of Motion Sickness Incidence in Railways

2013 ◽  
Author(s):  
Claudio Braccesi ◽  
Filippo Cianetti ◽  
Renzo Scaletta
Keyword(s):  
Experimental Data ◽  
Theoretical Model ◽  
Motion Sickness ◽  
Evaluation Method ◽  
Low Frequency ◽  
Comparison With Experimental Data

The present paper illustrates an evaluation method developed by the authors to quantify the index of motion sickness incidence (MSI) in railways motion conditions. This index is formerly defined in literature to quantify diseases coming from low frequency motions (kinetosis). The proposed method, suggested as alternative to the only one existing in reference norm, involves PCT index, well known in railways context, and weighting curves for accelerometric signals, which are also specified in railways regulations. The approach of the method, consistent with the theoretical model, developed by the authors themselves in previous works, allows to obtain MSI index versus time and/or track progressive distance. The model is validated through comparison with experimental data available in literature and with measures recorded and obtained on regular trains during tests performed in Slovenia (EU).

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