Insight into the adsorption mechanism of benzene in HY zeolites: the effect of loading

RSC Advances ◽  
2016 ◽  
Vol 6 (41) ◽  
pp. 34175-34187 ◽  
Author(s):  
Huimin Zheng ◽  
Liang Zhao ◽  
Qing Yang ◽  
Shanqing Dang ◽  
Yuxian Wang ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Inflection Point ◽  
Adsorption Mechanism ◽  
Two Stage ◽  
Hy Zeolites ◽  
Insight Into

An interesting two-stage adsorption mechanism, defined as “ideal adsorption” and “insertion adsorption”, was first proposed for the benzene/HY system by Metropolic Monte Carlo simulations at loadings below and above an “inflection point”.

Polynomial Approximation for Two Stage Stochastic Programming with Separable Objective

2012 ◽  
pp. 322-333
Author(s):  
Lijian Chen ◽  
Dustin J. Banet
Keyword(s):  
Monte Carlo ◽  
Stochastic Programming ◽  
Monte Carlo Simulations ◽  
Programming Model ◽  
Optimal Solution ◽  
Two Stage ◽  
Convex Objective Function ◽  
Stochastic Programming Model ◽  
Gradient Type ◽  
Norm Approximation

In this paper, the authors solve the two stage stochastic programming with separable objective by obtaining convex polynomial approximations to the convex objective function with an arbitrary accuracy. Our proposed method will be valid for realistic applications, for example, the convex objective can be either non-differentiable or only accessible by Monte Carlo simulations. The resulting polynomial is constructed by Bernstein polynomial and norm approximation models. At a given accuracy, the necessary degree of the polynomial and the replications are properly determined. Afterward, the authors applied the first gradient type algorithms on the new stochastic programming model with the polynomial objective, resulting in the optimal solution being attained.

scholarly journals Kinetic Monte Carlo simulations of organic ferroelectrics

2019 ◽  
Vol 21 (3) ◽  
pp. 1375-1383 ◽  
Author(s):  
Tim D. Cornelissen ◽  
Michal Biler ◽  
Indre Urbanaviciute ◽  
Patrick Norman ◽  
Mathieu Linares ◽  
...  
Keyword(s):  
Monte Carlo ◽  
Monte Carlo Simulations ◽  
Kinetic Monte Carlo ◽  
Monte Carlo Model ◽  
Organic Ferroelectrics ◽  
Kinetic Monte Carlo Simulations ◽  
Insight Into

A newly developed kinetic Monte Carlo model for organic ferroelectrics gives insight into switching kinetics.

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