scholarly journals STUDY AND MODELING 4,4'-DIAMINODIPHENYLMETHANE SYNTHESIS

Author(s):  
Natalia V. Menshutina ◽  
Igor V. Lebedev ◽  
Evgeniy A. Lebedev ◽  
Ratmir R. Dashkin ◽  
Mikhail V. Shishanov ◽  
...  

The presented work is devoted to reactions of obtaining 4,4´-diaminodiphenylmethane in the presence of a catalyst. The work describes the importance of studying 4,4´-diaminodiphenylmethane obtaining process and possibility of cellular automata approach in modelling chemical reactions. Cellular automata model which allows to predict the kinetic curves of the studied 4,4´-diaminodiphenylmethane-obtaining reaction. Model reflects two processes that are observed in the system under study - the movement of reagents under the stirring and the reaction in the presence of a catalyst. The suggested model does not use complex calculations for operation and can be implemented using high-performance parallel computing, which will speed up calculations and reduce the requirements for computing resources. The developed model was used to carry out computational experiments under various conditions. Since the model contains a number of empirical parameters, first computational experiments were carried out, which made it possible to establish the relationship between the model parameters and real values. Then, computational experiments were carried out to predict the kinetic curves of the studied reactions and were compared with the corresponding experimental data. The suggested model is suitable for predicting 4,4´-diaminodiphenylmethane-obtaining reaction kinetics. Also, model can be the part of complex multiscale modeling from the molecule level to the level of the entire apparatus.

2014 ◽  
Vol 701-702 ◽  
pp. 172-179
Author(s):  
Xiao Dong Xia ◽  
Lin Ling Xu

Based on the Nagel-Schrekenberg cellular automaton model of traffic flow, this article analyzed the influence that driving on the right side takes to the traffic flow in the condition of light and heavy traffic. With the combination of fluid dynamics and vehicle dynamics, we established the Cellular Automata model for mixed speed two-lane traffic flow on the rule driving on the right side. Then we used the AHP method to find out the large bus share rate, the number of vehicles changing lanes and the influence law of safety factors on traffic flow. We came to a conclusion that the relationship between traffic flow and load are inverted U shape changes in the low load and high load conditions, the accident rate is the maximum when the V/C (the ratio of traffic flow and the ability of corresponding section) is the minimum; with the increase of V/C, the accident rate decreased gradually.


2014 ◽  
Vol 2014 ◽  
pp. 1-7 ◽  
Author(s):  
Xiao-Xia Jian ◽  
Xiaoning Zhang

We propose a potential field cellular automata model with a pushing force field to simulate the pedestrian evacuation in a domain with a ramp. We construct a cost potential depending on the ramp angle and introduce a function to evaluate the pushing force, which is related to the cost and the desired direction of pedestrian. With increase of crowd density, there is no empty space for pedestrian moving forward; pedestrian will purposefully push another pedestrian on her or his desired location to arrive the destination quickly. We analyse the relationship between the slope of ramp and the pushing force and investigate the changing of injured situations with the changing of the slope of ramp. When the number of pedestrians and the ramp angle arrive at certain critical points, the Domino effect will be simulated by this proposed model.


2021 ◽  
Author(s):  
Haoming Zhuang ◽  
Xiaoping Liu ◽  
Xun Liang ◽  
Yuchao Yan ◽  
Jinqiang He ◽  
...  

2014 ◽  
Vol 926-930 ◽  
pp. 3455-3458
Author(s):  
Li Na Liu ◽  
Jie Wang ◽  
Chang Sheng Zhu ◽  
Ting Jing

This paper is based on Nagel-Schreckenberg cellular automata model as the foundation, in the open boundary conditions, the traffic vehicle redirecting probability and before lane changing rules get to intersection will produce certain effect to interference with intersection , and so as to builds up the nonsingular cellular automata model. Through the research to redirecting probability, lane changing rules and the settings of traffic lights play a part in traffic flow characteristics, and points out the influence of phase change point position ,and at the same time, traffic lights timing differences can reduce vehicle interference to increase traffic flow, at the same time, play a analysis the critical redirecting probability of traffic flow in controlling significance, and points out the relationship between the critical point of Lane changing probability and traffic flow influence ,and lane-changing rules is correspond to the basic line of vehicles running.


2007 ◽  
Vol 34 (4) ◽  
pp. 708-724 ◽  
Author(s):  
Daniel Stevens ◽  
Suzana Dragićević

This study proposes an alternative cellular automata (CA) model, which relaxes the traditional CA regular square grid and synchronous growth, and is designed for representations of land-use change in rural-urban fringe settings. The model uses high-resolution spatial data in the form of irregularly sized and shaped land parcels, and incorporates synchronous and asynchronous development in order to model more realistically land-use change at the land parcel scale. The model allows urban planners and other stakeholders to evaluate how different subdivision designs will influence development under varying population growth rates and buyer preferences. A model prototype has been developed in a common desktop GIS and applied to a rapidly developing area of a midsized Canadian city.


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