Reactions catalyzed within inorganic and organic materials and at electrochemical interfaces commonly occur at high coverage and in condensed media, causing turnover rates to depend strongly on interfacial structure and composition, 139755-85-4, Name is 5-(2-Ethoxy-5-((4-(2-hydroxyethyl)piperazin-1-yl)sulfonyl)phenyl)-1-methyl-3-propyl-1H-pyrazolo[4,3-d]pyrimidin-7(6H)-one, SMILES is O=C1C(N(C)N=C2CCC)=C2N=C(C3=CC(S(=O)(N4CCN(CCO)CC4)=O)=CC=C3OCC)N1, in an article , author is Aminian, Ali, once mentioned of 139755-85-4, HPLC of Formula: C23H32N6O5S.
Predicting the Shear Viscosity of Carbonated Aqueous Amine Solutions and Their Blends by Using an Artificial Neural Network Model
In the present work, a neural network (NN) model based on quantitative structure-viscosity relationship was implemented for predicting the shear viscosity of CO2-loaded and CO2-free aqueous amine solutions and their blends. A total of 1682 amine + CO, + water viscosity data sets for primary, secondary, and tertiary amines and 220 data points for further accuracy examinations were used. Molecular mechanic methods with CHARMM + CFF force fields were utilized in order to optimize, simulate, and extract the required molecular structure properties. Then, weighted nearest neighbor feature selection algorithm was used for selecting the most influencing descriptors, while cascade-forward NN (CFNN) model was applied for prediction purposes. For generality examinations, CO2-loaded aqueous systems of 3DMA1P(1) + EAE(2), MEA(1) + PZ(2), DMA2P(1) + MEA(2), DEAE(1) + PZ(2), and CO2 + pure water were used to find the solution viscosities, and comparisons were made against experimentations, which showed the quite robustness of the proposed model for the systemsm which were completely unaware of the trained model. Comparison between the values of average relative deviation of the NN model and the most important semiempirical viscosity models showed that CFNN model outperforms the other alternatives.
But sometimes, even after several years of basic chemistry education, it is not easy to form a clear picture on how they govern reactivity! 139755-85-4, you can contact me at any time and look forward to more communication. HPLC of Formula: C23H32N6O5S.
Reference:
Piperazine – Wikipedia,
,Piperazines – an overview | ScienceDirect Topics