Prediction of fluid-phase behavior of symmetrical binary Yukawa fluids using transition matrix Monte Carlo

2016 ◽  
Vol 415 ◽  
pp. 64-74 ◽  
Author(s):  
Tamaghna Chakraborti ◽  
Jhumpa Adhikari
Keyword(s):  
Monte Carlo ◽  
Phase Behavior ◽  
Transition Matrix ◽  
Fluid Phase

scholarly journals Liquid–liquid phase transition in hydrogen by coupled electron–ion Monte Carlo simulations

2016 ◽  
Vol 113 (18) ◽  
pp. 4953-4957 ◽  
Author(s):  
Carlo Pierleoni ◽  
Miguel A. Morales ◽  
Giovanni Rillo ◽  
Markus Holzmann ◽  
David M. Ceperley
Keyword(s):  
Phase Transition ◽  
Monte Carlo ◽  
Density Functional ◽  
Fluid Phase ◽  
Transition Line ◽  
Energy Applications ◽  
First Order Phase Transition ◽  
Fundamental Research ◽  
Diamond Anvil ◽  
First Order Phase

The phase diagram of high-pressure hydrogen is of great interest for fundamental research, planetary physics, and energy applications. A first-order phase transition in the fluid phase between a molecular insulating fluid and a monoatomic metallic fluid has been predicted. The existence and precise location of the transition line is relevant for planetary models. Recent experiments reported contrasting results about the location of the transition. Theoretical results based on density functional theory are also very scattered. We report highly accurate coupled electron–ion Monte Carlo calculations of this transition, finding results that lie between the two experimental predictions, close to that measured in diamond anvil cell experiments but at 25–30 GPa higher pressure. The transition along an isotherm is signaled by a discontinuity in the specific volume, a sudden dissociation of the molecules, a jump in electrical conductivity, and loss of electron localization.

Effect of Nanopore Confinement on Fluid Phase Behavior and Production Performance in Shale Oil Reservoir

2021 ◽  
Vol 60 (3) ◽  
pp. 1463-1472
Author(s):  
Zhaojie Song ◽  
Yilei Song ◽  
Jia Guo ◽  
Dong Feng ◽  
Jiangbo Dong
Keyword(s):  
Phase Behavior ◽  
Fluid Phase ◽  
Production Performance ◽  
Oil Reservoir ◽  
Shale Oil ◽  
Nanopore Confinement

scholarly journals Prediction of prevalence of type 2 diabetes in Rwanda using the metropolis-hasting sampling

2021 ◽  
Vol 21 (2) ◽  
pp. 702-709
Author(s):  
Angelique Dukunde ◽  
Jean Marie Ntaganda ◽  
Juma Kasozi ◽  
Joseph Nzabanita
Keyword(s):  
Physical Activity ◽  
Mathematical Model ◽  
Type 2 Diabetes ◽  
Monte Carlo ◽  
Transition Matrix ◽  
Decision Makers ◽  
World Health ◽  
Health Decision ◽  
The Masses

In this work, we predict the prevalence of type 2 diabetes among adult Rwandan people. We used the Metropolis-Hasting method that involved calculating the metropolis ratio. The data are those reported by World Health Organiation in 2015. Considering Suffering from diabetes, Overweight, Obesity, Dead and other subject as states of mathematical model, the transition matrix whose elements are probabilities is generated using Metropolis-Hasting sampling. The numerical results show that the prevalence of type 2 diabetes increases from 2.8% in 2015 to reach 12.65% in 2020 and to 22.59% in 2025. Therefore, this indicates the urgent need of prevention by Rwandan health decision makers who have to play their crucial role in encouraging for example physical activity, regular checkups and sensitization of the masses. Keywords: Non communicable diseases; type 2 diabetes; Markov Chain Monte Carlo method; Metropolis-Hasting method; Transition probabilities.rds: 

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