Adsorption of simple square-well fluids in slit nanopores: Modeling based on Generalized van der Waals partition function and Monte Carlo simulation

2018 ◽  
Vol 177 ◽  
pp. 323-332 ◽  
Author(s):  
Lingli Kong ◽  
Hertanto Adidharma
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Partition Function ◽  
Van Der Waals ◽  
Square Well

scholarly journals Statistical Mechanics of Discrete Multicomponent Fragmentation

2020 ◽  
Vol 5 (4) ◽  
pp. 64
Author(s):  
Themis Matsoukas
Keyword(s):  
Monte Carlo Simulation ◽  
Monte Carlo ◽  
Partition Function ◽  
Statistical Mechanics ◽  
Closed Form ◽  
Fixed Number ◽  
Arbitrary Degree ◽  
Fragment Distribution ◽  
The Mean ◽  
Fragmentation Event

We formulate the statistics of the discrete multicomponent fragmentation event using a methodology borrowed from statistical mechanics. We generate the ensemble of all feasible distributions that can be formed when a single integer multicomponent mass is broken into fixed number of fragments and calculate the combinatorial multiplicity of all distributions in the set. We define random fragmentation by the condition that the probability of distribution be proportional to its multiplicity, and obtain the partition function and the mean distribution in closed form. We then introduce a functional that biases the probability of distribution to produce in a systematic manner fragment distributions that deviate to any arbitrary degree from the random case. We corroborate the results of the theory by Monte Carlo simulation, and demonstrate examples in which components in sieve cuts of the fragment distribution undergo preferential mixing or segregation relative to the parent particle.

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