Does different dilution factors affect negatively on NH3 reading ?

I have a sample of treated water sample & asked to obtain ammonia conc. in sample using a machine with 5-25 ppm detection range. However, upon testing with different dilution factors, all...

27 February 2021 8,483 3 View

What are the application of Fixed points thoery in Chemistry.?

It is said that fixed point theory has lot of applications not in the field of mathematics only but also in various areas. So I am looking for applications in Chemistry only..

26 February 2021 3,533 1 View

What is the molecular size for crystal violet and reactive orange 16?

I am using methyl violet 10B and reactive orange 16 (RO16) dyes for my Ph.D. research. I'm trying to find the molecular size for both of these dyes. It is possible for me to find these dyes'...

01 February 2021 3,333 4 View

How to solve error "Cannot find position restraint file restraint.gro (option -r)." on GROMACS?

Hi, I am about to do energy minimization but the above error occurred, I checked my .mdp file and .top file but could not find the problem. TOP file ; Include forcefield parameters #include...

01 February 2021 780 3 View

How to find the target displacement to use in displacement control pushover analysis according to ASCE 41-17?

I am performing pushover analysis in Etabs of a steel braced frame but oI do not know what value should I use for target displacement. The height of the building is 20m. I want to know what value...

29 January 2021 2,190 2 View

Can we coat the pellet with graphite spray in place of silver paste for making electrical contact to measure the thermoelectric properties?

I want to coat the pellet because without electrical contact (may be due to the high resistance of the pellet), the V-I plot is not coming in the ZEM-3 instrument. I want to measure electrical...

24 January 2021 836 2 View

How to measure the size of simulated/generated Fields(Magnetic or Electric)?

Hello everyone, I'm a beginner on the simulation software ANSYS HFSS. I need to know how to measure the size of the generated field of my simulation. I have simulated a geometry that looked like...

20 January 2021 9,113 2 View

What is suitable etching resist coating for polished Titanium Grade 5 surface?

Currently we start a chemical etching project. This project involved etching a polished titanium grade 5 surface part. We facing a problem where by our etch resist coating peel off during etching...

15 January 2021 1,592 3 View

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13 January 2021 2,487 1 View

Variant or strain, what exactly happened to the corona virus ?

The new, more contagious variant of the virus that causes COVID-19 which initially detected in the U.K. and has now been spotted in many of the country. While some have referred to this as a new...

11 January 2021 8,810 5 View

How to analyze a particular region of my simulation box in GROMACS?

Hi, I am using GROMACS 5.1.4 to simulate water in contact with a surface. I am only interested to calculate some properties of water near the surface. Let's say at a distance of x nm from the...

03 March 2021 9,989 2 View

Chlorinated organic formation in odor control scrubbers using hypochlorite?

I'm involved in a study of odor control technologies for municipal wastewater treatment plant. One of the control options involves a chemical 2-stage (acid/alkaline) packed bed scrubber. The...

03 March 2021 3,661 2 View

What solvent can I used for Paal Knorr reaction between 6-amino hexanoic acid and 2.5 hexanedione?

I am try to make the Paal Knorr reaction between 2.5 hexnedione and 6-amino hexanoic acid, my problem is type of solvent to use, because 6-hexaminohexanoic acid is soluble in water but I am not...

02 March 2021 4,443 2 View

Ester cleavage conditions?

Hi all, I need to cleave the ester in Ethyl 2-amino-1H-imidazole-5-carboxylate to make the carboxylic acid and retrieve the product from solution to use in downstream applications of linking to...

01 March 2021 8,766 3 View

How to remove DCU and HOBT from my reaction?

I am doing a acid and a chiral amino alcohol reaction using DCC and HOBT in DCM or THF? Can anyone suggest me how to remove DCU and HOBT from a reaction mixture??

28 February 2021 2,153 1 View

How can I calculate the rdf of water molecules around 'Na' ions that are closest(adsorbed) to the nanoparticle(solute)?

Hi, I want to calculate the radial distribution function for water molecules around the Na+ ions adsorbed on the surface of a spherical nanoparticle using the gromacs trajectory dynamically? For...

28 February 2021 5,650 1 View

What is the most common number of epitopes in an multi-epitope Vaccine?

hi everyone, I'm interested in the field of vaccine design specifically multi-epitope cancer vaccines , I want to know if there is a minimum and maximum number of epitopes we could use in a...

27 February 2021 3,882 3 View

How can I assign a velocity along one direction to CO2 molecules in a molecular dynamics simulation using GROMACS?

Dear all, I am trying to perform a MD simulation about the interaction between CO2 and a polymer. I create my model, solvate it and perform the NVT and NPT equilibration. Now I am not able to...

26 February 2021 10,014 3 View

How does GROMACS calculate the average structure of proteins?

I want to get a average structure from a pdb file containing multiple models. I used the command below: gmx cluster -f input.pdb -s topol.tpr -cutoff 20 -method gromos -av GROMACS...

25 February 2021 6,314 1 View

How to increase solubility of Poly acrylic acid in Dioxane solvent?

I am working with Polyacrylic acid (100.000Da) and instead of water, I need to use another solvent (dioxane) to dissolve PAA. However, because of the high molecular weight, it's quite hard to...

25 February 2021 2,225 5 View