Does anyone knows solubility of water-alcohol mixuture?

More Yeongkyu Lee's questions See All

How to use reduced unit in gromacs?

Dear researchers, I am using gromacs for molecular dynamics simulation. These days, I am working on lennard jones fluid. In lammps, it is easy to use reduced unit by just set the parameter as 1....

01 February 2019 7,304 2 View

Can I make shell script for gmx rdf?

I want to make shell script for calculating rdf. I want to make a lot of rdf.xvg files for each time step. Here's my approach. #!/bin/bash for i in $(seq 1.1 .01 30.0) do echo -e "OH2\nOH2\n"...

11 December 2018 8,965 0 View

How to generate supercritical CO2 in gromacs?

Is there any procedure that I can adapt? or If there's some paper, please let me know. With my respect

10 November 2018 8,116 0 View

How to calculate tetrahedral order parameter in gromacs?

I have 50 ns simulated bulk water system. For analysis, I want to calculate tetrahedral order parameter q. I am using gromacs, and I know the command "gmx hydorder". However, I don't know how to...

09 October 2018 6,779 3 View

Tetrahedral order parameters and local water configurations?

I have configuration simulated with gromacs, NPT for 50 ns. During analysis, I got problems. 1. tetrahedral order parameter q 2. Double donor and single donor configuration division(reference of...

09 October 2018 8,496 0 View

How could I calculate voronoi volue of water?

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09 October 2018 523 4 View

Does anyone knows how to install drude implementation files for gromacs?

I installed drude implementation files from charmm website. Here's URL: http://mackerell.umaryland.edu/charmm_drude_ff.shtml. On my linux server Downloads directory, I did the procedure 1. git...

08 September 2018 9,901 2 View

Does anyone know how to simulate swm4-ndp in gromacs?

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08 September 2018 5,039 0 View

Polarizable water model ?

Does anyone know where could I find polarizable water model force field and coordinate file? I looked it up in martini website, but there's no one-bead polarizable model. Rather, they suggest 3...

06 July 2018 5,054 0 View

Could anyone help me inderstanding Soft matter lattice model?

In the lattice model in soft matter physics, average number of solute and solvent pair is calculated by = zNtotV(1-V) where z is coordination number and V is volume fraction for the solute...

02 March 2018 722 0 View

Does Napabucasin soluble in dichloromethane and in ethanol?

I need to prepare a solution of Napabucasin (inhibitor of cancer cell stemness) in dichloromethane. The drug is expensive, so maybe somebody already tried to do it. If it is soluble, what is the...

02 March 2021 9,945 3 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 separate water from glycerol solvent in a solvent recovery vacuum distillation column?

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What is the state of the drug inside solid lipid nanoparticles (SLNs)?

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01 March 2021 3,703 3 View

Why is the sum of the elements in a row in a Q matrix equal to zero?

When explaining substitution models, the substitutions are expressed as Q matrix. Why is the sum of the elements in a row zero?

28 February 2021 3,864 3 View

can I treat waste water containing solvents and alcohol with electrocoagulation?

there are solvents and alcohol in the waste water of a factory that produces disinfectants. Increasing this waste water requires very serious operations. Can I treat this waste water with...

27 February 2021 2,609 3 View

Does different dilution factors affect negatively on NH3 reading ?

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LEDs on Vis Light photo degradation of MB water sol via N doped TiO2 in a mini flume?

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26 February 2021 4,026 5 View

Do you kow of any database containing data on retention time, log P and polarizability for a large number of molecules?

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24 February 2021 2,602 1 View

To date, according to health authorities, 30% of the population's diseases are initiated by drinking water pollution. Do you know this problem?

The main studies are as follows: * regular and timely receipt of information about the state of the environment using automated systems (stationary and mobile); * operational analysis of the...

23 February 2021 912 5 View

Carlos Araújo Queiroz

Please check the following discussion for its possible interest concerning to your query: https://www.researchgate.net/post/Is_there_any_way_to_make_immiscible_a_kind_of_alcohol_in_contact_with_water

SILAS DERENZO

It is not clear if the objective of your process is just to get the substance or the development of an industrial process. In the first case doesnt matter so much but the problem of solventing - out process industrially is the necessity of recovery of the solvent. this way try to concentrate your substance as much as possible to use less ethanol.

Peter J Mponzi

Please take a look this link, it maybe useful