Investigation of reverse ionic diffusion in forward-osmosis-aided dewatering of microalgae: A molecular dynamics study

Jester N. Itliong, Al Rey C. Villagracia, Joaquin Lorenzo V. Moreno, Kurt Irvin M. Rojas, Gian Paolo O. Bernardo, Melanie Y. David, Robby B. Manrique, Aristotle T. Ubando, Alvin B. Culaba, Allan Abraham B. Padama, Hui Lin Ong, Jo Shu Chang, Wei Hsin Chen, Hideaki Kasai, Nelson B. Arboleda

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

This study aimed to investigate the transport mechanisms of ions during forward-osmosis-driven (FO-driven) dewatering of microalgae using molecular dynamics (MD) simulations. The dynamical and structural properties of ions in FO systems of varying NaCl or MgCl2 draw solution (DS) concentrations were calculated and correlated. Results indicate that FO systems with higher DS concentration caused ions to have lower hydration numbers and higher coordination numbers leading to lower diffusion coefficients. The higher hydration number of Mg2+ ions resulted in significantly lower ionic permeability as compared to Na+ ions at all concentrations (p = 0.002). The simulations also revealed that higher DS concentrations led to higher accumulation of ions in the membrane. This study provides insights on the proper selection of DS for FO systems.

Original languageEnglish
Pages (from-to)181-188
Number of pages8
JournalBioresource technology
Volume279
DOIs
Publication statusPublished - 2019 May 1

Fingerprint

Osmosis
Dewatering
dewatering
osmosis
Molecular dynamics
Ions
ion
hydration
Hydration
Magnesium Chloride
simulation
Structural properties
permeability
membrane
Membranes
Computer simulation

All Science Journal Classification (ASJC) codes

  • Bioengineering
  • Environmental Engineering
  • Renewable Energy, Sustainability and the Environment
  • Waste Management and Disposal

Cite this

Itliong, J. N., Villagracia, A. R. C., Moreno, J. L. V., Rojas, K. I. M., Bernardo, G. P. O., David, M. Y., ... Arboleda, N. B. (2019). Investigation of reverse ionic diffusion in forward-osmosis-aided dewatering of microalgae: A molecular dynamics study. Bioresource technology, 279, 181-188. https://doi.org/10.1016/j.biortech.2019.01.109
Itliong, Jester N. ; Villagracia, Al Rey C. ; Moreno, Joaquin Lorenzo V. ; Rojas, Kurt Irvin M. ; Bernardo, Gian Paolo O. ; David, Melanie Y. ; Manrique, Robby B. ; Ubando, Aristotle T. ; Culaba, Alvin B. ; Padama, Allan Abraham B. ; Ong, Hui Lin ; Chang, Jo Shu ; Chen, Wei Hsin ; Kasai, Hideaki ; Arboleda, Nelson B. / Investigation of reverse ionic diffusion in forward-osmosis-aided dewatering of microalgae : A molecular dynamics study. In: Bioresource technology. 2019 ; Vol. 279. pp. 181-188.
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abstract = "This study aimed to investigate the transport mechanisms of ions during forward-osmosis-driven (FO-driven) dewatering of microalgae using molecular dynamics (MD) simulations. The dynamical and structural properties of ions in FO systems of varying NaCl or MgCl2 draw solution (DS) concentrations were calculated and correlated. Results indicate that FO systems with higher DS concentration caused ions to have lower hydration numbers and higher coordination numbers leading to lower diffusion coefficients. The higher hydration number of Mg2+ ions resulted in significantly lower ionic permeability as compared to Na+ ions at all concentrations (p = 0.002). The simulations also revealed that higher DS concentrations led to higher accumulation of ions in the membrane. This study provides insights on the proper selection of DS for FO systems.",
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Itliong, JN, Villagracia, ARC, Moreno, JLV, Rojas, KIM, Bernardo, GPO, David, MY, Manrique, RB, Ubando, AT, Culaba, AB, Padama, AAB, Ong, HL, Chang, JS, Chen, WH, Kasai, H & Arboleda, NB 2019, 'Investigation of reverse ionic diffusion in forward-osmosis-aided dewatering of microalgae: A molecular dynamics study', Bioresource technology, vol. 279, pp. 181-188. https://doi.org/10.1016/j.biortech.2019.01.109

Investigation of reverse ionic diffusion in forward-osmosis-aided dewatering of microalgae : A molecular dynamics study. / Itliong, Jester N.; Villagracia, Al Rey C.; Moreno, Joaquin Lorenzo V.; Rojas, Kurt Irvin M.; Bernardo, Gian Paolo O.; David, Melanie Y.; Manrique, Robby B.; Ubando, Aristotle T.; Culaba, Alvin B.; Padama, Allan Abraham B.; Ong, Hui Lin; Chang, Jo Shu; Chen, Wei Hsin; Kasai, Hideaki; Arboleda, Nelson B.

In: Bioresource technology, Vol. 279, 01.05.2019, p. 181-188.

Research output: Contribution to journalArticle

TY - JOUR

T1 - Investigation of reverse ionic diffusion in forward-osmosis-aided dewatering of microalgae

T2 - A molecular dynamics study

AU - Itliong, Jester N.

AU - Villagracia, Al Rey C.

AU - Moreno, Joaquin Lorenzo V.

AU - Rojas, Kurt Irvin M.

AU - Bernardo, Gian Paolo O.

AU - David, Melanie Y.

AU - Manrique, Robby B.

AU - Ubando, Aristotle T.

AU - Culaba, Alvin B.

AU - Padama, Allan Abraham B.

AU - Ong, Hui Lin

AU - Chang, Jo Shu

AU - Chen, Wei Hsin

AU - Kasai, Hideaki

AU - Arboleda, Nelson B.

PY - 2019/5/1

Y1 - 2019/5/1

N2 - This study aimed to investigate the transport mechanisms of ions during forward-osmosis-driven (FO-driven) dewatering of microalgae using molecular dynamics (MD) simulations. The dynamical and structural properties of ions in FO systems of varying NaCl or MgCl2 draw solution (DS) concentrations were calculated and correlated. Results indicate that FO systems with higher DS concentration caused ions to have lower hydration numbers and higher coordination numbers leading to lower diffusion coefficients. The higher hydration number of Mg2+ ions resulted in significantly lower ionic permeability as compared to Na+ ions at all concentrations (p = 0.002). The simulations also revealed that higher DS concentrations led to higher accumulation of ions in the membrane. This study provides insights on the proper selection of DS for FO systems.

AB - This study aimed to investigate the transport mechanisms of ions during forward-osmosis-driven (FO-driven) dewatering of microalgae using molecular dynamics (MD) simulations. The dynamical and structural properties of ions in FO systems of varying NaCl or MgCl2 draw solution (DS) concentrations were calculated and correlated. Results indicate that FO systems with higher DS concentration caused ions to have lower hydration numbers and higher coordination numbers leading to lower diffusion coefficients. The higher hydration number of Mg2+ ions resulted in significantly lower ionic permeability as compared to Na+ ions at all concentrations (p = 0.002). The simulations also revealed that higher DS concentrations led to higher accumulation of ions in the membrane. This study provides insights on the proper selection of DS for FO systems.

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JO - Bioresource Technology

JF - Bioresource Technology

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