thermodynamics of co2 reaction with methylamine in aqueous solution: a computational study

Thermodynamics of CO2 reaction with methylamine in aqueous solution: A computational study

Separation and capture of carbon dioxide from the flue gas of power plants in order to reduceenvironmental damages has always been of interest to researchers. In this study, aqueous solution ofmethylamine was used as an absorbent for CO2 capture. In order to study this reaction, DensityFunctional Theory (DFT) was employed at the level of B3LYP/6-311++G(d,p) by using theconductor-like polarizabl...

Computational Study of the Mechanism, Reaction Rate and Thermochemistry of Atmospheric Oxidation of Methylamine with Singlet Oxygen

The reaction of CH₃NH₂ with O₂ on the singlet potential energy surfaces (PES) was carried out using the B3LYP, CCSD(T) and G3B3 theoretical approaches along with 6-311++G(3df,3pd) basis set. The suggested mechanism for the title reaction consists of one pre-reactive complex. From the pre-reactive complex, nine types of products, CH2NH+H2O2, CH3NH+OOH,...

A computational study of the phosphoryl transfer reaction between ATP and Dha in aqueous solution.

Phosphoryl transfer reactions are ubiquitous in biology, being involved in processes ranging from energy and signal transduction to the replication genetic material. Dihydroxyacetone phosphate (Dha-P), an intermediate of the synthesis of pyruvate and a very important building block in nature, can be generated by converting free dihydroxyacetone (Dha) through the action of the dihydroxyacetone k...

Reaction of CO2 with human hemoglobin solution.

a study of baudrillards ideas in brian moores fiction

پیدایش مرحله ی جدیدی از نظام سرمایه داری بعد از جنگ جهانی دوم همزمان است با ظهور عصر اطلاعات و رسانه جمعی. در چنین جامعه ای سیر آزادانه ی نشانه ها در فضای بی اساس مجازی بر سرعت فرسایش واقعیت می افزاید. به اعتقاد بودریار، فقدان واقعیت به واسطه ی شبیه سازی آن و تولید حاد واقعیت (hyperreality) پنهان خواهد ماند. این پژوهش بر آن است که جامعه فرانوین توصیف شده در سه رمان بریان مور را با توجه به نظر...

prevalence of atopic dermatitis in children with type 1 diabetes mellitus in southeastern of iran (kerman province): a case-control study

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