Startseite Influence Prediction of Alkylamines Upon Electrical Percolation of AOT-based Microemulsions Using Artificial Neural Networks
Artikel
Lizenziert
Nicht lizenziert Erfordert eine Authentifizierung

Influence Prediction of Alkylamines Upon Electrical Percolation of AOT-based Microemulsions Using Artificial Neural Networks

  • Iago Antonio Montoya , Oscar Adrían Moldes , Antonio Cid , Gonzalo Astray , Juan Francisco Gálvez und Juan Carlos Mejuto
Veröffentlicht/Copyright: 7. Januar 2016
Veröffentlichen auch Sie bei De Gruyter Brill
Informationen für Autor*innen
Tenside Surfactants Detergents
Aus der Zeitschrift Tenside Surfactants Detergents Band 52 Heft 6

Abstract

Simulations for the electrical percolation of AOT/iC8/H2O w/o microemulsions added with alkylamines have been carried out by means of multilayer perceptron. Five variables have been elected as inputs: amine concentration, molecular weight, log P, hydrocarbon chain length (as number of carbons), and pKa. As a result, a neural model consisting in five input neurons, two middle layers (with fifteen and ten neurons respectively) and one output neuron was chosen because of its better performance, with a RMSE of 0.54 °C for the prediction set, with R2 = 0.9976.

Kurzfassung

Es wurde die elektrische Perkolation von AOT/iC8/H2O w/o-Mikroemulsionen mit Alkyaminen, mittels eines Mehrlagenperzeptrons simuliert. Fünf Größen wurden als Inputvariablen ausgewählt: Aminkonzentration, Molekulargewicht, log P, Länge der Kohlenwasserstoffkette (= Anzahl der Kohlenstoffatome) und pKa. Die Simulation lieferte ein neuronales Netz mit einer besseren Leistung, das aus fünf Eingangsneuronen, zwei Mittellagen mit fünfzehn bzw. zehn Neuronen und einem Ausgangsneuron besteht. Die RMSE des Vorhersage-Sets beträgt 0,54 °C und R2 = 0,9976.

Key words: Microemulsions; AOT; isooctane; Percolation; Conductivity; Additive; Alkylamine; Simulation; Prediction; Artificial Neural Networks; multilayer perceptron
Stichwörter: Mikroemulsionen; AOT; Isooctan; Perkolation; Leitfähigkeit; Additive; Alkylamine; Simulation; Vorhersage; künstliche neuronale Netze; Mehrlagenperzeptron
*Correspondence address, Prof. Dr. Juan C. Mejuto, Department of Physical Chemistry, Faculty of Sciences, University of Vigo, Ourense, Spain. E-Mail:

Juan Carlos Mejuto actually is Full Professor in the Physical Chemistry Department of University of Vigo at Ourense Campus. He is the head of the Colloids group at Ourense Campus. His research interest comprises (i) physical organic and physical inorganic chemistry, (ii) reactivity mechanisms in homogeneous and micro heterogeneous media, (iii) stability of self-assembly aggregates and (iv) supramolecular chemistry.

Oscar Adrian Moldes take his PhD at University of Vigo. His research interest is focused in properties of self-assembly colloid aggregates and its applications in biotechnology and biomedicine.

Antonio Cid take his PhD at University of Vigo, actually he has got a Post-Doctoral Position at New University of Lisbon. His research interest is focused in properties of self-assembly colloid aggregates and its applications in biotechnology.

Gonzalo Astray take his PhD at University of Vigo, actually he has got a Post-Doctor- al Position at Ohio University (USA). His research interest is focused in the applications of Artificial Neural Networks to chemical and biological problems.

Iago Antonio Montoya is a PhD student in the Faculty of Science at Ourense (University of Vigo)

Juan Francisco Galvez is Professor in the Informatics Engineering School at Ourense (University of Vigo). His research interest is focused in big data.

References

1. Moulik, S. P. and Paul, B. K.: Structure, dynamics and transport properties of microemulsions, Advances in Colloid and Interface Science78 (1998)) 99–195. 10.1016/S0001-8686(98)00063-3Suche in Google Scholar

2. Chatterjee, S., Mitra, R. K., Paul, B. K. and Bhattacharya, S. C.: Interface of AOT/Brij mixed reverse micellar systems: Conductometric and spectrophotometric investigations, Journal of Colloid and Interface Science298 (2006)) 935–941. 10.1016/j.jcis.2005.12.061Suche in Google Scholar PubMed

3. Naouli, N., Rosano, H. L. and Kanouni, M.: A Model of microemulsion formation and percolation: Experimental validation, Journal of Dispersion Science and Technology32 (2011)) 359–364. 10.1080/01932691003662365Suche in Google Scholar

4. Cid, A., Gómez-Díaz, D., Mejuto, J. C. and Navaza, J. M.: Viscosity and percolative phenomena in AOT based microemulsions, Tenside, Surfactants, Detergents48 (2011)) 165–169. 10.3139/113.110119Suche in Google Scholar

5. Jada, A., Lang, J. and Zana, R.: J. Phys. Chem.93 (1989)) 10–12. 10.1021/j100338a004Suche in Google Scholar

6. Jada, A., Lang, J., Zana, R., Makhloufi, R., Hirech, E. and Candau, S. J.: J Phys. Chem.94 (1990)) 387–395. 10.1021/j100364a066Suche in Google Scholar

7. Lang, J., Mascolo, G., Zana, R. and Luisi, P. L.: J. Phys. Chem.94 (1990)) 3069–3074. 10.1021/j100370a060Suche in Google Scholar

8. Mathew, C., Patanjali, P. K., Nabi, A. and Maitra, A.: Colloids Surf.30 (1988)) 253–263. 10.1016/0166-6622(88)80210-5Suche in Google Scholar

9. Mitra, R. K. and Paul, B. K.: Effect of Temperature and Salt on the Phase Behavior of Nonionic-Ionic Microemulsions with Fish-Tail Diagram, J. Colloid Interface Science291 (2005)) 550–229. 10.1016/j.jcis.2005.05.048Suche in Google Scholar PubMed

10. Paul, B. K. and Mitra, R. K.: Percolation Phenomenon in Mixed Reverse Micelles: The Effect of Additives, J. Colloid Interface Science295 (2006)) 230–242. 10.1016/j.jcis.2005.07.072Suche in Google Scholar PubMed

11. De, M., Bhattacharya, S. C., Panda, A. K. and Moulik, S. P.: Physicochemistry of Mixed Systems of Water/AOT (Surfactant)/Alkanol (Cosurfactant)/Cycloalkanone (Oil): A Detailed Study of Phase Behavior, Salt Effect and Conductance Properties, Mrinmoy, J. Dispersion Sci. Tech.30 (2009)) 277–288. 10.1080/01932690802537323Suche in Google Scholar

12. Fanun, M.: Formulation and characterization of microemulsions based on mixed nonionic surfactants and peppermint oil, Journal of Colloid and Interface Science343 (2010)) 496–503. 10.1016/j.jcis.2009.12.008Suche in Google Scholar PubMed

13. García-Río, L., Leis, J. R., Mejuto, J. C. and Pena, M. E.: Effects of Additives on the Internal Dynamics and Properties of Water/AOT/Isooctane Microemulsions, Langmuir10 (1994)) 1676–1683. 10.1021/la00018a013Suche in Google Scholar

14. García-Río, L., Hervés, P., Leis, J. R. and Mejuto, J. C.: Influence of crown-ethers and macrocyclic kryptands upon the percolation phenomena in AOT Isooctane/H2O microemulsions, Langmuir13 (1997)) 6083–6088. 10.1021/la970297nSuche in Google Scholar

15. Dasilva-Carvalhal, J., García-Río, L., Gómez-Díaz, D., Mejuto, J. C. and Rodríguez-Dafonte, P.: Influence of Crown Ethers on the Electric Percolation of AOT/Isooctane/Water (w/o) Microemulsions, Langmuir19 (2003)) 5975–5983. 10.1021/la026857mSuche in Google Scholar

16. Dasilva-Carbalhal, J., Garcia-Rio, L., Gomez-Diaz, D., Mejuto, J. C. and Perez-Lorenzo, M.: Influence of glymes upon percolative phenomena in AOT-based microemulsions, J. Colloid Interface Sci.292 (2005)) 591–594. 10.1016/j.jcis.2005.06.003Suche in Google Scholar PubMed

17. García-Río, L., Mejuto, J. C., Pérez-Lorenzo, M., Rodríguez-Álvarez, A. and Rodríguez-Dafonte, P.: Influence of Anionic Surfactants on the Electric Percolation of AOT/Isooctane/Water Microemulsions, Langmuir21 (2005)) 6259–6264. 10.1021/la0501987Suche in Google Scholar PubMed

18. Arias-Barros, S. I., Cid, A., García-Río, L., Mejuto, J. C. and Morales, J.: Colloid and Polymer Science288 (2010)) 217–221. 10.1007/s00396-009-2122-0. 10.1007/s00396-009-2122-0Suche in Google Scholar

19. Eicke, H. F., Bercovec, M. and Das-Gupta, B.: Conductivity of water-in-oil microemulsions: a quantitative charge fluctuation model, J. Phys. Chem.93 (1989)) 314–317. 10.1021/j100338a062Suche in Google Scholar

20. Paul, S., Bisal, S. and Moulik, S. P.: Physicochemical studies on microemulsions: test of the theories of percolation, J. Phy. Chem-US.96 (1992)) 896–901. 10.1021/j100181a067Suche in Google Scholar

21. Hattori, Y., Ushiki, H., Engl, W., Courbin, L. and Panizza, P.: Electrical percolation in the presence of attractive interactions: an effective medium lattice approach applied to microemulsion systems, Physica A353 (2005)) 29–27. 10.1016/j.physa.2005.01.040Suche in Google Scholar

22. Jeirani, Z., Jan, B. M., Ali, B. S., Noor, I. M., Hwa, S. C. and Sphanuchart, W.: Ind. Eng. Chem. Res.51 (2012)) 10147–10155. 10.1021/ie300107jSuche in Google Scholar

23. Cid, A., Astray, G., Manso, J. A., Mejuto, J. C. and Moldes, O. A.: Tenside Surfactants Detergents48 (2011)) 477–483. 10.3139/113.110155Suche in Google Scholar

24. Motoya, I. A., Astray, G., Cid, A., Manso, J. A., Moldes, O. A. and Mejuto, J. C.: Tenside Surfactants Detergents49 (2012)) 316–320. 10.3139/113.110197Suche in Google Scholar

25. Moldes, O. A., Astray, G., Cid, A., Iglesias-Otero, M. A., Morales, J. and Mejuto, J.C.: Tenside Surfactants Detergents50 (2013)) 360–368. 10.3139/113.110268Suche in Google Scholar

26. Moldes, O. A., Cid, A., Astray, G. and Mejuto, J. C.: Tenside Surf. Det.51 (2014)) 533–540. 10.3139/113.110340Suche in Google Scholar

27. Moldes, O. A., Cid, A., Montoya, I. A. and Mejuto, J. C.: Tenside Surfactants and Detergents52 (2015)) in press. 10.3139/113.110374Suche in Google Scholar

28. Dasilva-Carvalhal, J., Fernández-Gándara, D., García-Río, L. and Mejuto, J. C.: Influence of aza crown ethers on the electric percolation of AOT/isooctane/water (w/o) microemulsions, J. Colloid Interface Sci.301 (2006)) 637–643. 10.1016/j.jcis.2006.05.050Suche in Google Scholar PubMed

29. Cid-Samamed, A., García-Río, L., Fernández-Gandara, D., Mejuto, J. C., Morales, J. and Pérez-Lorenzo, M.: J, Influence of n-alkyl acids on the percolative phenomena in AOT-based microemulsions, Journal of colloid and interface science318 (2008)) 525–529. 10.1016/j.jcis.2007.11.001Suche in Google Scholar PubMed

30. Hait, S. K., Moulik, S. P. and Palepu, R.: Refined Method of Assessment of Parameters of Micellization of Surfactants and Percolation of W/O Microemulsions, Langmuir18 (2002)) 2471–2476. 10.1021/la0110794Suche in Google Scholar

31. García-Río, L., Hervés, P., Mejuto, J. C., Pérez-Juste, J. and Rodríguez-Dafonte, P.: Journal of Colloid and Interface Science225 (2000)) 259–264. 10.1006/jcis.2000.6771Suche in Google Scholar PubMed

32. Álvarez, E., García-Río, L., Mejuto, J. C. and Navaza, J. M.: J. Chem. Eng. Data43 (1998)) 433–435. 10.1021/je970232mSuche in Google Scholar

33. Álvarez, E., García-Río, L., Mejuto, J. C., Navaza, J. M., Pérez-Juste, J. and Rodríguez-Dafonte, P.: J. Chem. Eng. Data44 (1999)) 1286–1290. 10.1021/je990108ySuche in Google Scholar

34. Álvarez, E., García-Río, L., Mejuto, J. C. and Navaza, J. M.: J. Chem. Eng. Data44 (1999)) 484–487. 10.1021/je980129cSuche in Google Scholar

35. Junquera, E., Ortega, F. and Aicart, E.: Langmuir19 (2003)) 4923–4932. 10.1021/la034214gSuche in Google Scholar

36. García-Río, L., Hervés, P., Leis, J. R., Mejuto, J. C. and Rodríguez-Dafonte, P.: J. Phys. Org. Chem.17 (2004)) 1067–1072. 10.1002/poc.827Suche in Google Scholar

37. García-Río, L., Mejuto, J. C., Pérez-Lorenzo, M. and Rodríguez-Dafonte, P.: Prog. React. Kin. Mechan.31 (2006)) 129–138. 10.3184/146867806X197115Suche in Google Scholar

38. Astray, G., Cid, A., Manso, J. A., Mejuto, J. C., Moldes, O. A., Morales, J. and QuintásJ.: J. Solution Chem. Journal of Solution Chemistry40 (2011)) 2072–2081. 10.1007/s10953-011-9775-2Suche in Google Scholar

39. Cid-Samamed, A., García-Río, L., Fernández-Gándara, D., Mejuto, J. C., Morales, J. and Pérez-Lorenzo, M.: Journal of Colloid and Interface Science318 (2008)) 525–529. 10.1016/j.jcis.2007.11.001Suche in Google Scholar PubMed

Received: 2015-06-22
Accepted: 2015-08-14
Published Online: 2016-01-07
Published in Print: 2015-11-16

© 2015, Carl Hanser Publisher, Munich

Artikel in diesem Heft

  1. Contents/Inhalt
  2. Contents
  3. Hygiene and Washing
  4. Characterization of Microbial Communities in Household Washing Machines
  5. Hygiene in Domestic Laundering – Consumer Behavior in Germany
  6. Timesaving Washing of Textiles Utilizing 38 kHz Ultrasound
  7. Application
  8. Oil Extraction from Oil-Contaminated Drill Cuttings Using a Recyclable Single-Phase O/W Microemulsion
  9. Physical Chemistry
  10. Effect of Sodium Taurocholate on Aggregation Behavior of Amphiphilic Drug Solution
  11. Influence Prediction of Alkylamines Upon Electrical Percolation of AOT-based Microemulsions Using Artificial Neural Networks
  12. Effect of Tween 40 and Tween 60 on the Properties of a Cationic Slow-Set Emulsifier
  13. Magnetic Properties of Polyaniline/ZFe2O4 Nanocomposites Synthesized in CTAB as Surfactant and Ionic Liquid
  14. Novel Surfactants
  15. Ionic Liquid in Thin-Layer Chromatography of Anionic Surfactants: Selective Separation of Sodium Deoxycholate and Identification in Commercial Products
  16. Micellar Catalysis
  17. Combination of Best Promoter and Micellar Catalyst for Chromic Acid Oxidation of D-Arabinose in Aqueous Media at Room Temperature
  18. Environmental Chemistry
  19. Photocatalytic Degradation of Copper(II) Palmitates in Non Aqueous Media Using ZnO as Photocatalyst
https://doi.org/10.3139/113.110399
Schlagwörter für diesen Artikel
Microemulsions; AOT; isooctane; Percolation; Conductivity; Additive; Alkylamine; Simulation; Prediction; Artificial Neural Networks; multilayer perceptron

Artikel in diesem Heft

  1. Contents/Inhalt
  2. Contents
  3. Hygiene and Washing
  4. Characterization of Microbial Communities in Household Washing Machines
  5. Hygiene in Domestic Laundering – Consumer Behavior in Germany
  6. Timesaving Washing of Textiles Utilizing 38 kHz Ultrasound
  7. Application
  8. Oil Extraction from Oil-Contaminated Drill Cuttings Using a Recyclable Single-Phase O/W Microemulsion
  9. Physical Chemistry
  10. Effect of Sodium Taurocholate on Aggregation Behavior of Amphiphilic Drug Solution
  11. Influence Prediction of Alkylamines Upon Electrical Percolation of AOT-based Microemulsions Using Artificial Neural Networks
  12. Effect of Tween 40 and Tween 60 on the Properties of a Cationic Slow-Set Emulsifier
  13. Magnetic Properties of Polyaniline/ZFe2O4 Nanocomposites Synthesized in CTAB as Surfactant and Ionic Liquid
  14. Novel Surfactants
  15. Ionic Liquid in Thin-Layer Chromatography of Anionic Surfactants: Selective Separation of Sodium Deoxycholate and Identification in Commercial Products
  16. Micellar Catalysis
  17. Combination of Best Promoter and Micellar Catalyst for Chromic Acid Oxidation of D-Arabinose in Aqueous Media at Room Temperature
  18. Environmental Chemistry
  19. Photocatalytic Degradation of Copper(II) Palmitates in Non Aqueous Media Using ZnO as Photocatalyst
Jetzt anmelden und 20% sparen
Institutioneller Zugang
Wie funktioniert Authentifizierung?
Haben Sie eine Idee, wie wir unsere Website verbessern können?
Bitte schreiben Sie uns.
© 2025 De Gruyter Brill
Heruntergeladen am 9.10.2025 von https://www.degruyterbrill.com/document/doi/10.3139/113.110399/html
Button zum nach oben scrollen