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Arata

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  1. Dear Jia Finally, My calculated data approached as the model insisted in the thesis after following all of your advice. Also, I tried to convert log Ks to describe the multidentate complexes as hiemstra-vanriemsdijk model and got the same results Thank you for your very helpful suggestion. Sincerely Arata
  2. Dear all As advised, we verified whether we could reproduce the prediction by modifying the equilibrium constant to a linear value, but still could not reproduce the experimental results described in the paper. Various papers on the adsorption of positive ions on kaolinite have used both specific adsorption and adsorption by permanent negative charge, but we have not been able to reproduce the experimental results in these papers. We are currently working on a list of equilibrium constants for kaolinite. As a first step, we are checking to see if GWB can represent the experimental results described in the paper using the equilibrium constants and other statuses given in the paper. After the confirmation, we are planning to verify how much the experimental results are in error with the results described in other papers and select the appropriate ones. In the relevant paper, the ionic strength is predicted at 0.1, 0.01, and 0.001 with NaNO3, the cadmium concentration is 4.88e-5mol/L, and kaolinite is 7.8g/L input. On top of this, the pH is adjusted between 3 and 10. REACT was validated with a mixture of one type of permanent negative charge and one specific adsorption site, and one type of permanent negative charge and one specific adsorption site. Send PDF of the paper, GWB script, adsorption data, and thermodynamic data. Please can someone help me with this? 1-s2.0-S0016703707005698-main.pdf GuonGu.rea Gu_etal.sdat Gu_inout.sdat Gu_outer.sdat GWB_ThermoddemV1.10_15Dec2020.tdat
  3. Dear Jia Thank you for your reply. One of My study's purposes is to make a list of kaolinite surface complexation like ferrihydrite did by Dzombak and Morel 1992. Several kaolinite adsorption studies, using exchange sites sorb some heavy metal to reproduce low pH sorbing metals. so now I try to reproduce them in GWB modeling to verify whether the equilibrium constants this thesis using can use or not. The thesis uses log K value. I will try to fix them to linear value and use them or not. Thank you for your cooperation.
  4. Hello, everyone I am trying to reproduce heavy metal adsorption on kaolinite from some of the thesis But I could not understand how to set ion exchange sites. For example, I tried the SCMs and ion exchange of kaolinite (Gu and Evans,2008) https://www.sciencedirect.com/science/article/pii/S0016703707005698?via%3Dihub In this thesis, using ion exchange sites and SOH sites When I try to make an ion exchange site using Tedit, I could not register Na+ and H+ exchange There is 2equation remain in the thesis (XH + Na+ ⇄ XNa +H+ K = -2.02) (2XH+ + Cd2+ ⇄ X2Cd + 2Na+ K=  1.22) But This soft show the error when I set the coefficient is lower than 0 Please tell me other ways or solutions to reproduce these ion exchange models Thank you for your cooperation.
  5. It is a simple question.We want to calculate the dissolution and precipitation of Greenalite at 80℃ by X1t and React, but we have only the thermo data and LogKs at 25℃ from the previous thesis. (Log Ks=27.6)Is there a method to calculate or extrapolate LogKs at 80℃ from only 25℃ dataWe attach the data and the link of previous thesis. Thank you https://pubs.geoscienceworld.org/gsa/gsabulletin/article/128/3-4/511/126243/An-authigenic-origin-for-Precambrian-greenalite thermo(F-S-H) (1).tdat
  6. Hi,everyone I am making the model of Reactive transport model include desorbing Copper ions from Ferrihydrite in sediments. First, I made the sediments which contains Ferrihydrite in React, sorbing Copper ions and check the result amounts of adsorped Cu ions. after pick up the result from entire (include the fluids),Copy to X1T's initial, or use the same as React's basis in it, after making reactive transport. But I want to confirm. 1. When pick up the data, the only unit is mol. I think that means the amounts of ions(Minerals) in the Bulk Volume of the React script, so I can't use that in X1T initial except when X1T's node volume is equal to React's bulk volume. I don't want change node volume, I made the model use the same as React's basis. is it correct? 2. I make the model of React, first I use wt%. Wt% is not compare mineral weight but water weight,so there is less mineral than using Volume%, is it true? 3 When I check the result of React script, amounts of sorbed Copper is wrote 1.033e+04mg/kg. this kg means water,not mineral weight. there is only 1.0701kg water, so sorbed all ions is almost 1.105e+04mg, this calculate is correct? 4 in X1t, I want to show the results of an experiment in which we put 20 millilitres of solution per day into a column with a base area of 7.55 square centimetres. Flow fluid is (20/7.55=)2.649cm/day I setted. is it true? If I have to set something about diffusion, I want to know. Best,wishes. Arata Column_Fh_0.5.x1t FhVol%.rea FeOH+thermodemn.sdat thermoddemV1.tdat
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