Computer Simulation of Static and Dynamic Properties During Transient Sorption of Fluids in Mesoporous Materials

2009 ◽  
Vol 114 (19) ◽  
pp. 8877-8883 ◽  
Author(s):  
Harald Morgner
2010 ◽  
Vol 114 (19) ◽  
pp. 9187-9188
Author(s):  
R. Valiullin ◽  
S. Naumov ◽  
P. Galvosas ◽  
J. Kärger ◽  
H-J. Woo ◽  
...  

2008 ◽  
Vol 138 ◽  
pp. 451-475 ◽  
Author(s):  
Andrzej Sikorski

Properties of macromolecules confined in a narrow slit, pore or capillary are important due to of their practical importance. Theoretical treatment of such systems is also interesting because the introduction of confinement has an impact on most properties of polymer chains and it gained a longstanding attention. In order to determine the properties of such systems coarse-grained models of confined polymers were designed where macromolecules were represented by united atoms. Lattice approximation was also often introduced. Different macromolecular architectures were studied: linear, cyclic and star-branched chains. Computer simulation techniques (the variants of the Monet Carlo method like the Metropolis algorithm and the Replica Exchange method as well as Molecular Dynamics and Brownian Dynamics methods) applied for studies of such models were reviewed and evaluated. The structure of the polymer film and the dynamic properties were mainly presented and discussed. The influence of the width of the slit, the temperature and the force field on the dimension and the structure of chains were studied. It was shown that a moderate confinement stabilizes folded chains while a strong confinement does not.


2018 ◽  
Vol 19 (12) ◽  
pp. 514-525
Author(s):  
Mirosław Luft ◽  
Artur Nowocień ◽  
Daniel Pietruszczak

The paper presents the application of the fractional calculus to describe the dynamics of selected basic elements of automation. For the analyzed models, the integer and non-integer order transmittance was determined. Relationships describing time characteristics were determined and frequency; on the path of computer simulation, the characteristics of the analyzed systems were obtained. MATLAB software was used for simulation research.


2019 ◽  
Vol 43 (2) ◽  
pp. 168-173 ◽  
Author(s):  
A.V. Pavelev ◽  
V.V. Semin

In this paper, we investigate non-markovian dynamics of a system of two interacting qubits. With the help of stochastic calculus we derive the non-Markovian non-linear stochastic Schrödinger equation. This equation is solved by the direct computer simulation. The simulation is used to obtain some dynamic properties of the system.


2013 ◽  
Vol 373-375 ◽  
pp. 1168-1171 ◽  
Author(s):  
Hong Yan Lv ◽  
Fang Liu

Snowfall process is analyzed from the perspective of computer simulation in this paper, the dynamic properties and the static properties of snow particles are abstracted based on particle system theory. The snow particles movement is simulated with wind and no wind. To solve the problems of the blur of snowing environment and firn phenomena, the paper puts forward a method of applying pulverization to snowing virtual environment. The tests show that the simulation methods of snowfall and pulverization are effective and real, which are suit for real-time virtual environment.


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