Design and optimization of reactive dividing-wall extractive distillation process for dimethyl carbonate synthesis based on quantum chemistry and molecular dynamics calculation

2021 ◽  
pp. 118978
Author(s):  
Yuanyuan Shen ◽  
Qing Zhao ◽  
Huiyuan Li ◽  
Xingyi Liu ◽  
Zhengrun Chen ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Quantum Chemistry ◽  
Dimethyl Carbonate ◽  
Extractive Distillation ◽  
Distillation Process ◽  
Design And Optimization ◽  
Dynamics Calculation

Conformations of 2,4-Diphenylpentane:  A Quantum Chemistry and Gas-Phase Molecular Dynamics Simulation Study

1998 ◽  
Vol 102 (24) ◽  
pp. 4694-4702 ◽  
Author(s):  
Grant D. Smith ◽  
Chakravarthy Ayyagari ◽  
Richard L. Jaffe ◽  
Matthew Pekny ◽  
Aaron Bernarbo
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Quantum Chemistry ◽  
Gas Phase ◽  
Simulation Study ◽  
Dynamics Simulation
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