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yzdm

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About yzdm

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  1. I do not quite understand the differences between an open and closed system. In my view for a closed system, the amounts of reactants and fluids are given at first, then the reaction goes ahead, resulting in the decomposition of reactants and the formation of products. None of the reactants and fluids is fixed. As a contrast, one or some components of the reactants and fluids is fixed during the reaction. I am not sure whether my understanding is correct or not, so any suggestions are welcomed.
  2. Thanks for your reply. There is something wrong with the internet connection yesterday. The webpage displayed submission failed. I will pay attention not to submit multiple times. Anyway, thanks.
  3. Hi there, here is a question. What is the difference between the units: kg/free kg/log kg/ log free kg? Any special meaning?
  4. Here is a detialed description. I ran a reaction under temperatures from 350 to 200 and at the temperature of 300, 250, 200, respectively. For example, i compared the amount of products at 300 (the reaction conducted from 350-200), however, these amounts are different from the value when i ran the same reaction at the temperature at 300. Why does this happen?
  5. Hi everyone, i made a comparison between the databases from GWB and EQ3/6. There are content differences between these two databases. The database content of EQ3/6 is similar to that of GWB, and the titles in the same line of the table below have similar content from No. 1 to No. 8. And No. 10&11 of EQ3/6 are break up and filled into other contents in GWB. However, the content of 'Solid solutions' in EQ3/6 and 'Oxide' in GWB seem to be the distinctive content in each database. I want to ask whether the database of GWB contains 'solid solution', if not, what effect will have on the simulation result? No. EQ3/6 GWB 1 Title including Options Header (References) 2 Miscellaneous parameters Tables 3 Elements Elements 4 Basis species Basis species (B-dot parameters) 5 Auxiliary basis species Redox couples (B-dot parameters) 6 Aqueous species Aqueous species (B-dot parameters) 7 Solids Minerals 8 Gases Gases 9 Solid solutions Oxides 10 B-dot parameters 11 References
  6. Hi, recently, i would like to run a model of reactions between glass and water. Oxides are used as the reactants on behalf of glass. However, errors occurred when i ran the react like below: -- Error: Can't react B2O3(ox) because the system doesn't include B(OH)3(aq) -- Error: Can't react Li2O because the system doesn't include Li+ -- Error: Can't react MgO because the system doesn't include Mg++ -- Error: Can't react TiO2 because the system doesn't include Ti(OH)4(aq) -- Error: Can't react Cr2O3 because the system doesn't include CrO4-- -- Error: Can't react Cs2O because the system doesn't include Cs+ -- Error: Can't react F2(g) because the system doesn't include F- The react file and database are attached below. Species mentioned above "B(OH)3(aq), Li+, Mg++, Ti(OH)4(aq), CrO4--, Cs+, F-" are all under the 'Basis species' but none under the 'Aqueous species'. I suppose this may be the reason for errors. However, how can i solve this problem? prototype.rea thermo.com.V8.R6+1.tdat
  7. I have found the answer now. There is no need to reply, cheers!
  8. Hi guys, i want to make a comparison between EQ3/6 and GWB about a simple water-rock reaction on the base of the same thermodynamic database. The final results seem to be alike, but the processes of the reaction have much difference. I guess the algorithms used by these two software cause the situation. A hybrid Newton-Raphson algorithm is employed in EQ3/6 during the reaction. However, i don't find the algorithm that GWB used during reaction. So i am here asking for help. ONE MORE, why can i only start a topic on the student forum?
  9. Recently, i want to run two reactions, the second one is on the basis of the first one. After running the first reaction, i use run-pick up-system-entire, but an error occurs. However, this situation doesn't occur all the time, just in a small range of amount of reactant. The reaction files and database are attached below. I don't know what's wrong, so i am here asking for help. Stage1.rea thermo.nn.tdat !What's more, aftering reading the content about redox pivot, i decoupled "HS-/SO4--" and solved this problem. But the sulfide won't form in the reaction. I am not sure what happened inside.
  10. Hi Brian Farrell, Thank you for your reply. It maybe work, however, i need time to learn the methods. And i will ask for your help, if more questions occur to me. Best
  11. Hi, everyone, I need to run a series reaction files under diffrent w/r ratios and temperatures, which is about 126 reacions in total. This is only the first step.Moreover, i also need to run new reactions on the basis of the results of the first step. As we can see, i may collect the concentrations or values of the products, the pH, the logfO2 and some elements in the fluid about the 252 reactions. I did it once, which took me about four days. It is too time consuming, so i want to ask for help! Is there any convenient way for users like me to get what i want. Thank you guys.
  12. Hi, Brian Farrell, Thank you every much for you kindness help. It works well now. The warning messages only occur under temperatures below about 140℃ due to the mass imbalance of -e. The database file was too large to upload, so i just uploaded the rea file. Regards, Chen
  13. Hi, there, I was runing a series of reaction files and i need pick up the results and draw some special charts. However, when i click the 'view results' button, the results are incomplete like below. So, anyone can tell me where to change the setting in order to show the full results, please? Ksberg-stag1-0.2.rea
  14. Hi Melika Sharifi, We can get log(SO4--/H2S) = logK + 2logO2,aq, according to H2S + 2 O2 - = SO42- + 2 H+. I suppose ' O2 - ' in the reaction means 'O2,aq' actually? Bests, ChenYang
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