Study of interaction of Polymer iodine complex computationally?

More Allen Rajkumar's questions See All

Does anyone know, any conference related to "mathematical data compression" topic?

Please suggest me, I want to present my research work.

13 July 2024 1,461 1 View

Aside from the diagnostic efficacy of the various immunoassays for HDV, do these tests vary in risks or health hazard for the medical technologist?

Pertaining to the study "Diagnostic Efficacy of Serological Antibody Detection Tests for Hepatitis Delta Virus: A Systematic Review and Meta-Analysis" by Pan et. al (2023), they discussed the...

09 April 2024 4,044 1 View

Where to find elemental abundances in High-Ni cosmic dust?

I am looking for tables of elemental data (percentages of Fe, Ni, Co, Cu, etc.) for flake-like cometary dust particles like those shown below, but have not had much success finding the data. Can...

07 March 2024 1,973 0 View

How to perform DFT on samples with fractional stoichiometry?

For the purpose of theoretically studying my samples (Lithium ferrite) which are already prepared. I would like perform DFT. The problem I face here is that my samples have formulas like for...

13 February 2024 6,053 3 View

Can anyone identify the origin of these Ni-Cr-Fe flakes?

These two Fe flakes are highly enriched in Ni and/or Cr. Other similar ones are composed of wustite with low oxygen. They were found in similar-aged end-glacial samples from four ocean cores in...

13 November 2023 9,364 0 View

Does a vibrating string stretch (elongate) during vibration or does string length (curvature) remain constant?

Consider two different theories of string vibration determined by whether the string stretches as it moves. 1) If the string elongates as it bends, then the force acting on a point along the...

02 November 2023 8,845 10 View

Why are THP-1s unhappy after PMA addition?

I have been having issues with my THP-1 cells for most of this year - when I try to differentiate them with PMA into macrophage-like cells about 1/3 of the cells do not adhere properly (either...

29 October 2023 2,372 2 View

Can anyone recommend places to learn about protein purification?

Hello, I've been doing protein purification more in the lab and I want a better understanding of the technique. I've been looking into it on my own but was wondering if anyone knew of a good...

17 October 2023 1,412 3 View

Which magnets can be used for measurement of Curie Temperature?

I have ferrite samples with Curie Temperature of about 600°C, unfortunately the Magnet that came along with the instrument isn't working and it has demagnetized due to high temperature. Which type...

05 October 2023 3,060 3 View

The citations to my work that you list are to my own articles. This is an error, correct?

I don't think that is the intention of listing citations. Thanks.

12 September 2023 9,157 2 View

Adhesion strength of coating?

How can I determine a good adhesion strength range for coatings on polymer surfaces, such as DLC on polymer substrates? Is there a specific threshold for adhesion strength (from T-peel tests)...

10 August 2024 942 3 View

How to increase simulation box size?

We intend to study the interaction between peptides and polymer (like PP, PE and PS) through MD simulations using Martini force fields ( Martini 2 for PP and Martini 3 for PE, PS). We have...

08 August 2024 4,842 0 View

How to heat polymer for about 130° without oil bath ?

is there any other way to heat a polymer evenly other than oil bath if so what are those and how to use it

06 August 2024 947 1 View

Polymer wear calculation?

What is the method for analytically calculating the wear and service life of polymer-polymer sliding pairs?

04 August 2024 1,078 1 View

How to explain the different interaction between soluble and insoluble polymer in water?

Hello everyone, I am try to understand the differences interaction between insoluble and soluble polymers in water with metal ions and how theit charge density (of metal ions) affect the interaction.

29 July 2024 6,350 3 View

Why is it not common to see similar pairs in polymer sliding pairs?

If the pairs are similar, will it reduce the adhesion due to electric charges?

29 July 2024 3,185 2 View

HAs anyone used TGA to find activation enegy of water evaporation?

I have different polymer solutions and I hypothesize that water molecules are retained based on the water-polymer interactions, so the amount of free water is less to intercat with drug tablet....

28 July 2024 9,545 6 View

What is the difference between coordination polymer, MOFs, MCOFs?

Wherever I have referred, it puts me in a dilemma about the exact differences between these. It would be really helpful if someone can put me out of this trouble.

21 July 2024 3,045 3 View

Appearance of crystallization peak in heating cycle of DSC test?

For which types of polymers, the crystallization peak in heating cycle of DSC test can be observed and for which types cant? In another word, when this exothermic crystallization can be observed...

18 July 2024 348 3 View

Interpreting ATR-FTIR Spectra for Microplastics Research?

Hello everyone, I am currently pursuing a PhD in Environmental Engineering with a focus on microplastic studies. My background is in Civil Engineering, and I am relatively new to working with...

18 July 2024 7,258 3 View

Boubaker Zaidi

You can study the interaction of polymers and iodine or other salts using density functional theory

Allen Rajkumar

Boubaker Zaidi How many monomer units do we need to consider? Also, iodide ions exist in many forms. Where should we place the iodide ions relative to the monomer position?