Hajirah Kanwal

3 Questions 7 Answers 0 Followers

Questions related from Hajirah Kanwal

How to convert H2 percentage value obtained from GC TCD into micromoles/g/h?

I am currently working on photocatalytic hydrogen production but I am unable to convert hydrogen value into micromoles/g/h. The results obtained from GC TCD, file is attached below.

21 August 2023 936 6 View

Why there are no peaks shown in RDF while simulating the 4H-SiC at different temperature ranges through reaxFF?

I am simulating the SiC at different temperatures to study its structural properties but there occurred no chemical reaction(bond breakage or formation) in the final structure and since the radial...

29 March 2020 9,926 7 View

Which method is better NVT or NHV for MD of SiC in ReaxFF?

I want to study the temperature variation with different energy values by performing MD calculations of bulk SiC and its monolayer. but i am not able to understand its input parameters such as...

04 March 2020 8,864 2 View