Is there any relation between Donnan equilibrium and Nernst-Planck equation?

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Which is suitable for use with Python? MySQL or SQL Server?

Which is suitable for use with Python? MySQL or SQL Server? What is your suggestion?

01 March 2021 3,422 3 View

High aspect ratio hexahedral mesh optimization solver?

I am interested in evaluating mesh optimization solvers that converge to high aspect ratio unstructured hexahedral grids. In other words, I am interested in a solver that optimizes warpage,...

26 February 2021 7,279 2 View

Sample modeling in ABAQUS software and its relationship with the real world?

About crack modeling in ABAQUS: Mode I (pure-tensile cracking) and Mode II (pure-shear cracking), these assumptions may be accruing in theoretical approach (ABAQUS) not practical in Lab....

19 February 2021 6,156 1 View

How to solve the fatal error "the entire source was rejected" in MCNP?

Simple geometry was made having concentric cylinders bounded by a square region. The geometry has a reflective boundary. The source was defined at one point in the boundary and when it had been...

17 February 2021 4,364 3 View

absorption= 1-mag(S(FP1:1,FP1:1)S(FP1:1,FP1:1))-mag(S(FP2:1,FP1:1)S(FP2:1,FP1:1)) is it correct for absorption ?

hi everyone I am simulating a unit cell structure in HFSS using Flouquet port having two modes for absorption I have used this formula:- absorption=...

17 February 2021 9,178 2 View

How does a freeze dryer destruct your solid sample?

Several times I lost my sample during freeze drying. There was no solid or powder in the vial after freeze drying. I'm sure sample contained solute because i took its NMR spectrum. I covered the...

15 February 2021 6,749 2 View

An article on the Iranian state's civil liability in the COVID-19 matter needs supervision; Is anyone interested in collaborating?

Hello. An article on the Iranian state's civil liability in the COVID-19 issue has been written in collaboration with a friend and a comparative look at law and biology. The article is ready to be...

15 February 2021 2,906 2 View

Inter-rater / inter-coder reliability for thematic analysis?

In my research, I have used metaphorical elicitation tasks to investigate learners' conceptualization of speaking fluency. In the analysis phase, I used thematic analysis to make themes out of...

10 February 2021 4,719 11 View

How to define two different phases with different species?

Hello all, I am trying to model CO2 being dissolved in a bubble column filled with water. For mass transfer definitions, I need to define two phases: for instance, liquid and gas, where the liquid...

08 February 2021 2,722 3 View

How to model Type 1 collagen structure for finite element analysis ?

I have started a project in which stress distribution in Type 1-collagen scaffold is to be modelled. I am thinking of using finite element analysis to model the structure and the loading...

07 February 2021 5,487 3 View

In methylene blue test Why is UV absorbance reading very low as soon adsorbent is added and then increasing before reaching equilibrium?

Hello, I'm working on removal of methylene blue. 01. in the dark test very first reading is taken 15 minutes after adding adsorbent to the dye solution and that UV absorbance reading is very...

19 February 2021 472 5 View

How to raise temperature in small increments during equilibration in LAMMPS?

All, I am trying to equilibrate an Ice 1h crystalline structure to 250K in LAMMPS. When I tried to do this at 250K directly, the structure lost it's crystalline shape and became disordered post...

14 February 2021 5,747 2 View

How would I go about equilibrating the internal humidity of a closed system at 2 different temperatures?

I have a box which is kept at 4C which is enclosed in a ziploc bag. The dimensions of the box are: 18cm x 13.4cm x 4.9cm. The relative humidity of this internal environment is 30% at this...

07 January 2021 6,734 3 View

A problem with GROMACS 2020.3 ?

Greetings, I am trying to run GROMACS 2020.3 on a supercomputer using this command to do the production run: mpirun -np 24 gmx_mpi mdrun -v -s AB_md_0_1.tpr -deffnm AB_md_0_1 >...

17 December 2020 1,232 3 View

Kinetic modelling of oxidative dehydrogenation of ethane ?

According to below articles about kinetic modelling of ODH reactions by G. Che-Galicia and et al. there are some problems need your guidance and advices: Kinetic and reactor performance of a...

27 November 2020 9,035 3 View

How can i investigate the interaction between gas-rock or gas water rock in phreeqc?

I want to investigate the reaction between a mineral (Calcite) and a gas phase (H2) which has been stored at a depleted gas reservoir. I try to model this by defining a solution and put H2(g) as...

25 November 2020 8,916 1 View

Solve it given in description?

We consider a reaction system "A" reversibly reacts with "B" through k1 and k-1 rate constant respectively, and "B" gives "C" and "D" through k2 and k3 rate constant respectively through parallel...

27 October 2020 8,987 16 View

How to fix the problem about segmentation fault?

Hi everyone, I am new gromacs user. I am doing the MD simulation of protein-NA. I did the Energy minimization step, NVT, NPT equilibration. after equilibrating the system i submitted the...

21 August 2020 7,876 4 View

How to sure that a optimized structure is traped in a global potential well not in the local one for large systems?

Dear people, I have optimized a dimer (each monomer contains about 50 to 60 atoms) structure in its equilibrium distances (I have done a rigid scan to find the equilibrium distance between...

05 August 2020 7,683 1 View

Why does the equation of balance of Equilibrated force (equation containing voids) not include any thermal relaxation parameter?

In most mathematical problems considering voids, why does the equation of balance of Equilibrated force not include any thermal relaxation parameter considering Green-Lindsay theory or any higher...

20 July 2020 5,481 6 View