Two-dimensional lattice Monte Carlo simulation of the compatibility of A/B/functionalized A ternary polymer mixtures coupled with chemical reaction

2005 ◽  
Vol 308 (1-2) ◽  
pp. 171-179 ◽  
Author(s):  
Yutian Zhu ◽  
Jie Cui ◽  
Wei Jiang
1997 ◽  
Vol 08 (03) ◽  
pp. 459-472 ◽  
Author(s):  
Alessandro Bruno ◽  
Fabrizio Pisacane ◽  
Vittorio Rosato

The temperature behavior of a system of dipoles with long-range interactions has been simulated via a two-dimensional lattice Monte Carlo on a massively SIMD platform (Quadrics/APE100). Thermodynamic quantities have been evaluated in order to locate and to characterize the phase transition in absence of applied field. Emphasis is given to the code implementation on the SIMD architecture and to the relevant features which have been used to improve code capabilities and performances.


Author(s):  
Shigenori Togashi ◽  
Yukako Asano ◽  
Yoshishige Endo

The chemical reaction yield was predicted by using Monte Carlo simulation. The targeted chemical reaction of a performance evaluation using the microreactor is the consecutive reaction. The main product P1 is formed in the first stage with the reaction rate constant k1. Moreover, the byproduct P2 is formed in the second stage with the reaction rate constant k2. It was found that the yield of main product P1 was improved by using a microreactor when the ratio of the reaction rate constants became k1/k2 >1. To evaluate the Monte Carlo simulation result, the yields of the main products obtained in three consecutive reactions. It was found that the yield of the main product in cased of k1/k2 >1 increased when the microreactor was uesd. Next, a pilot plant involving the numbering-up of 20 microreactors was developed. The 20 microreactor units were stacked in four sets, each containing five microreactor units arranged. The maximum flow rate when 20 microreactors were used was 1 × 104 mm3/s, which corresponds to 72 t/year. Evaluation of the chemical performance of the pilot plant was conducted using a nitration reaction. The pilot plant was found to capable of increasing the production scale without decreasing the yield of the products.


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