A two-dimensional model of water: Theory and computer simulations

2000 ◽  
Vol 112 (6) ◽  
pp. 2843-2848 ◽  
Author(s):  
T. Urbič ◽  
V. Vlachy ◽  
Yu. V. Kalyuzhnyi ◽  
N. T. Southall ◽  
K. A. Dill
Soft Matter ◽  
2021 ◽  
Author(s):  
Claudio Maggi ◽  
Matteo Paoluzzi ◽  
Andrea Crisanti ◽  
Emanuela Zaccarelli ◽  
Nicoletta Gnan

We perform large-scale computer simulations of an off-lattice two-dimensional model of active particles undergoing a motility-induced phase separation (MIPS) to investigate the systems critical behaviour close to the critical point...


Soft Matter ◽  
2015 ◽  
Vol 11 (4) ◽  
pp. 701-711 ◽  
Author(s):  
Simon K. Schnyder ◽  
Markus Spanner ◽  
Felix Höfling ◽  
Thomas Franosch ◽  
Jürgen Horbach

The generic mechanisms of anomalous transport in porous media are investigated by computer simulations of two-dimensional model systems.


Experimental investigations of automobile exhaust emissions were examined by combusting a mixture of propane and air within a multi-channel monolith. Chemical kinetics, mass transfer and heat transfer effects were studied using appropriate temperature and flow conditions to separate the effects. The results were used to construct both a one- and two-dimensional mathematical model. Simulations of monolith behaviour were then compared with observed performance. First-order chemical kinetics were observed for the low hydrocarbon concentrations examined in the temperature range 557–648 K, while mass transfer limitation was apparent at temperatures between 736 K and 769 K. Perturbations to inlet concentration and temperature were effected while studying monolith performance, and the responses recorded. Computer simulations using the two mathematical models predicted correct trends, but did not agree quantitatively with the experimental results. The one-dimensional model predicts both concentration and temperature responses to a change in inlet conditions better than the more comprehensive two-dimensional model, even when heat losses are taken into account. This is because experimentally determined heat and mass transfer coefficients are used for computations relating to the one-dimensional model, whereas these parameters were calculated theoretically in the two-dimensional model. Further computer simulations revealed discontinuities in the values of Nusselt numbers, values depending on elapsed time following a step change in inlet conditions and axial position along the monolith channel. This unusual feature is accounted for by a reversal in heat transfer between wall and bulk fluid as the reaction develops along the monolith channel.


2002 ◽  
Vol 61 (1) ◽  
pp. 34-44 ◽  
Author(s):  
Eric Tafani ◽  
Lionel Souchet

This research uses the counter-attitudinal essay paradigm ( Janis & King, 1954 ) to test the effects of social actions on social representations. Thus, students wrote either a pro- or a counter-attitudinal essay on Higher Education. Three forms of counter-attitudinal essays were manipulated countering respectively a) students’ attitudes towards higher education; b) peripheral beliefs or c) central beliefs associated with this representation object. After writing the essay, students expressed their attitudes towards higher education and evaluated different beliefs associated with it. The structural status of these beliefs was also assessed by a “calling into question” test ( Flament, 1994a ). Results show that behavior challenging either an attitude or peripheral beliefs induces a rationalization process, giving rise to minor modifications of the representational field. These modifications are only on the social evaluative dimension of the social representation. On the other hand, when the behavior challenges central beliefs, the same rationalization process induces a cognitive restructuring of the representational field, i.e., a structural change in the representation. These results and their implications for the experimental study of representational dynamics are discussed with regard to the two-dimensional model of social representations ( Moliner, 1994 ) and rationalization theory ( Beauvois & Joule, 1996 ).


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