Surfactant solutions confined in homogeneous and Janus-like slits

T. Staszewski; M. Borówko

doi:10.5488/CMP.29.13401

Authors

T. Staszewski Department of Theoretical Chemistry, Institute of Chemical Sciences, Faculty of Chemistry, Maria Curie-Skłodowska University in Lublin, Poland https://orcid.org/0000-0002-0284-4253
M. Borówko Department of Theoretical Chemistry, Institute of Chemical Sciences, Faculty of Chemistry, Maria Curie-Skłodowska University in Lublin, Poland https://orcid.org/0000-0003-1461-249X

DOI:

https://doi.org/10.5488/CMP.29.13401

Keywords:

inhomogeneous fluids, fluids, surfactants, molecular dynamics

Abstract

We study the behavior of aqueous surfactant solutions in the bulk phase and in slit-like pores by molecular dynamics. Adsorption and self-assembly of nonionic surfactants C₇E₃ that mimic alkyl poly(ethylene oxide) molecules are investigated. We consider pores with the same walls and Janus-like slits. The individual walls are inert, hydrophilic, or hydrophobic. We focus on the morphology of the surfactant solution confined in different slits. The influence of a pore type and its width is discussed. The aggregative adsorption of surfactants was found. Our simulations show that in slits surfactants assemble into structures that do not occur in the bulk phases.

References

Israelachvili J., Intermolecular and Surface Forces, 3rd Ed., Elsevier, USA, 2011.

Schmid F., Computational Methods in Surface and Colloid Science, Marcel Dekker, Boca Raton, 200.

Myers D., Surfactant Science and Technology, John Willey & Sons Inc, USA, 2020. DOI: https://doi.org/10.1002/9781119465829

Rosen M. J., Kunjappu J. T., Surfactants and Interfacial Phenomena, John Wiley & Sons, USA, 2012. DOI: https://doi.org/10.1002/9781118228920

Taddese T., Anderson R. L., Bray D. J., Warren P. B., Curr. Opin. Colloid Interface Sci., 2020, 48, 137–148. DOI: https://doi.org/10.1016/j.cocis.2020.04.001

Domínguez H., Langmuir, 2009, 25, No. 16, 9006–9011. DOI: https://doi.org/10.1021/la900714a

Domínguez H., J. Phys. Chem. B, 2011, 115, No. 43, 12422–12428. DOI: https://doi.org/10.1021/jp202813b

Zehl T., Wahab M., Schiller P., Mögel H.-J., Langmuir, 2009, 25, No. 4, 2090–2100. DOI: https://doi.org/10.1021/la8020595

Meng J., Wang L., Zhang S., Lyu Y., Xia J., Chem. Phys. Lett., 2021, 785, 139130. DOI: https://doi.org/10.1016/j.cplett.2021.139130

Sindelka K., Lísal M., Mol. Phys., 2021, 119, No. 15-16, e1857863. DOI: https://doi.org/10.1080/00268976.2020.1857863

Tummala N. R., Grady B. P., Striolo A., Phys. Chem. Chem. Phys., 2010, 12, 13137–13143. DOI: https://doi.org/10.1039/c0cp00600a

Suttipong M., Grady B. P., Striolo A., Phys. Chem. Chem. Phys., 2014, 16, 16388–16398. DOI: https://doi.org/10.1039/C4CP00882K

Suttipong M., Grady B. P., Striolo A., J. Phys. Chem. B, 2015, 119, No. 17, 5467–5474. DOI: https://doi.org/10.1021/jp511427m

Striolo A., Grady B. P., Langmuir, 2017, 33, No. 33, 8099–8113. DOI: https://doi.org/10.1021/acs.langmuir.7b00756

Suttipong M., Grady B. P., Striolo A., Soft Matter, 2017, 13, 862–874. DOI: https://doi.org/10.1039/C6SM01854H

Arai N., Yasuoka K., Zeng X. C., J. Am. Chem. Soc., 2008, 130, No. 25, 7916–7920. DOI: https://doi.org/10.1021/ja7108739

Müter D.,Widmann M. A., Bock H., J. Phys. Chem. Lett., 2013, 4, No. 13, 2153–2157. DOI: https://doi.org/10.1021/jz400942y

Müter D., Rother G., Bock H., Schoen M., Findenegg G. H., Langmuir, 2017, 33, No. 42, 11406–11416. DOI: https://doi.org/10.1021/acs.langmuir.7b02262

Rother G., Müter D., Bock H., Schoen M., Findenegg G. H., Mol. Phys., 2017, 115, No. 9-12, 1408–1416. DOI: https://doi.org/10.1080/00268976.2017.1299234

Angelikopoulos P., Bock H., J. Phys. Chem. B, 2008, 112, No. 44, 13793–13801. DOI: https://doi.org/10.1021/jp804891a

Tummala N. R., Morrow B. H., Resasco D. E., Striolo A., ACS Nano, 2010, 4, No. 12, 7193–7204. DOI: https://doi.org/10.1021/nn101929f

Suttipong M., Tummala N. R., Kitiyanan B., Striolo A., J. Phys. Chem. C, 2011, 115, No. 35, 17286–17296. DOI: https://doi.org/10.1021/jp203247r

Suttipong M., Tummala N. R., Striolo A., Batista C. S., Fagan J., Soft Matter, 2013, 9, 3712–3719. DOI: https://doi.org/10.1039/c3sm27889a

Suttipong M., Striolo A., RSC Adv., 2015, 5, 90049–90060. DOI: https://doi.org/10.1039/C5RA17862B

Sindelka K., Kowalski A., Cooke M., Mendoza C., Lísal M., J. Mol. Liq., 2023, 375, 121385. DOI: https://doi.org/10.1016/j.molliq.2023.121385

Wu Y., Ma Y., He L., Rother G., Shelton W. A., Bharti B., J. Phys. Chem. C, 2019, 123, No. 15, 9957–9966. DOI: https://doi.org/10.1021/acs.jpcc.9b01522

Sokołowski S., Mol. Phys., 1992, 75, No. 5, 999–1022. DOI: https://doi.org/10.1080/00268979200100781

Kozak E., Sokołowski S., J. Chem. Soc., Faraday Trans., 1991, 87, 3415–3422. DOI: https://doi.org/10.1039/FT9918703415

Huerta A., Sokołowski S., Pizio O., Mol. Phys., 1999, 97, No. 8, 919–930. DOI: https://doi.org/10.1080/00268979909482894

Borówko M., Rżysko W., Sokołowski S., Staszewski T., J. Colloid Interface Sci., 2007, 314, No. 2, 349–357. DOI: https://doi.org/10.1016/j.jcis.2007.05.076

Borówko M., Rżysko M., Sokołowski S., Staszewski T., Mol. Phys., 2006, 104, No. 22-24, 3479–3489. DOI: https://doi.org/10.1080/00268970600958681

Pizio O., Patrykiejew A., Sokołowski S., J. Chem. Phys., 2004, 121, No. 23, 11957–11964. DOI: https://doi.org/10.1063/1.1818677

Pizio O., Sokołowski S., Condens. Matter Phys., 2014, 17, No. 2, 23603. DOI: https://doi.org/10.5488/CMP.17.23603

Pizio O., Rżysko W., Sokołowski S., Sokołowska Z., J. Chem. Phys., 2015, 142, No. 16, 164703. DOI: https://doi.org/10.1063/1.4918640

Ilnytskyi J. M., Patsahan T., Sokołowski S., J. Chem. Phys., 2011, 134, No. 20, 204903. DOI: https://doi.org/10.1063/1.3592562

Borówko M., Pöschel T., Sokołowski S., Staszewski T., J. Phys. Chem. B, 2013, 117, No. 4, 1166–1175. DOI: https://doi.org/10.1021/jp3105979

Gac W., Patrykiejew A., Sokołowski S., Thin Solid Films, 1997, 298, No. 1, 22–32. DOI: https://doi.org/10.1016/S0040-6090(96)09322-4

Zagórski R., Sokołowski S., J. Colloid Interface Sci., 2001, 240, No. 1, 219–223. DOI: https://doi.org/10.1006/jcis.2001.7660

Pérez L., Sokołowski S., Pizio O., J. Chem. Phys., 1998, 109, No. 3, 1147–1151. DOI: https://doi.org/10.1063/1.476659

Bryk P., Pizio O., Sokolowski S., J. Chem. Phys., 1998, 109, No. 6, 2310–2315. DOI: https://doi.org/10.1063/1.476798

Bryk P., Reszko-Zygmunt J., Rżysko W., Sokołowski S., Mol. Phys., 2000, 98, No. 2, 117–123. DOI: https://doi.org/10.1080/00268970009483275

Pizio O., Borówko M., Rżysko W., Staszewski T., Sokołowski S., J. Chem. Phys., 2008, 128, No. 4, 044702. DOI: https://doi.org/10.1063/1.2829247

Sokołowska Z., Sokołowski S., J. Colloid Interface Sci., 2007, 316, No. 2, 652–659. DOI: https://doi.org/10.1016/j.jcis.2007.08.059

Toxvaerd S., Dyre J. C., J. Chem. Phys., 2011, 134, No. 8, 081102. DOI: https://doi.org/10.1063/1.3558787

Grant L. M., Ederth T., Tiberg F., Langmuir, 2000, 16, No. 5, 2285–2291. DOI: https://doi.org/10.1021/la990700l

Binder K., Milchev A., J. Polym. Sci., Part B: Polym. Phys., 2012, 50, No. 22, 1515–1555. DOI: https://doi.org/10.1002/polb.23168

Milchev A., Egorov S. A., Nikoubashman A., Binder K., Polymer, 2018, 145, 463–472. DOI: https://doi.org/10.1016/j.polymer.2018.04.054

Ventura Rosales I. E., Rovigatti L., Bianchi E., Likos C. N., Locatelli E., Nanoscale, 2020, 12, 21188–21197. DOI: https://doi.org/10.1039/D0NR05058J

Borówko M., Staszewski T., Tomasik J., J. Phys. Chem. B, 2023, 127, No. 22, 5150–5161. DOI: https://doi.org/10.1021/acs.jpcb.3c01943

Plimpton S., J. Comput. Phys., 1995, 117, No. 1, 1–19. DOI: https://doi.org/10.1006/jcph.1995.1039

Thompson A. P., Aktulga H. M., Berger R., Bolintineanu D. S., Brown W. M., Crozier P. S., in ’t Veld P. J., Kohlmeyer A., Moore S. G., Nguyen T. D., Shan R., Stevens M. J., Tranchida J., Trott C., Plimpton S. J., Comput. Phys. Commun., 2022, 271, 1081711. DOI: https://doi.org/10.1016/j.cpc.2021.108171

Stukowski A., Modell. Simul. Mater. Sci. Eng., 2010, 18, No. 1, 015012. DOI: https://doi.org/10.1088/0965-0393/18/1/015012