PERFORM Publications

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Title		Authors	PubMed ID
1	A synergistic approach to rapid stabilization and immobilization of crude oil-contaminated clayey sand using calcium chloride and sodium silicate	Rajaei E; Elektorowicz M; Baker MB;	41391286 ENCS
2	Electro-washing of pipelines spills: On-site strategies for different soil matrices	Rajaei E; Elektorowicz M;	40614426 ENCS
3	Revealing the Freezing-Induced Alteration in Microplastic Behavior and Its Implication for the Microplastics Released from Seasonal Ice	Chen Z; Elektorowicz M; An C; Tian X; Wang Z; Yang X; Lyu L;	39031076 ENCS
4	Integrating of electrocoagulation process with submerged membrane bioreactor for wastewater treatment under low voltage gradients	Bani-Melhem K; Elektorowicz M; Tawalbeh M; Al Bsoul A; El Gendy A; Kamyab H; Yusuf M;	37536541 ENCS
5	Entrainment and Enrichment of Microplastics in Ice Formation Processes: Implications for the Transport of Microplastics in Cold Regions	Chen Z; Elektorowicz M; An C; Tian X;	36780450 ENCS
6	Sources, behaviors, transformations, and environmental risks of organophosphate esters in the coastal environment: A review	Chen Z; An C; Elektorowicz M; Tian X;	35635887 ENCS
7	Amberlite IRC-718 ion chelating resin extraction of hazardous metal Cr (VI) from aqueous solutions: equilibrium and theoretical modeling	Addala A; Boudiaf M; Elektorowicz M; Bentouhami E; Bengeurba Y;	34534117 ENCS
8	Simulation and computer modeling of asphaltene in different solvents on oil-water interfaces using a molecular dynamic methodology.	Yuan J, Elektorowicz M, Chen Z, Segun GA, Vakili M, Zhong L, Wang B, Zhu J, Wu Y	31542686 ENCS
9	Extended environmental multimedia modeling system assessing the risk carried by pollutants in interacted air-unsaturated-groundwater zones.	Yuan J, Elektorowicz M	31376662 ENCS
10	Electro-demulsification of water-in-oil suspensions enhanced with implementing various additives.	Taslimi Taleghani S, Fellah Jahromi A, Elektorowicz M	31173953 ENCS
11	Comparison of constant, pulsed, incremental and decremental direct current applications on solid-liquid phase separation in oil sediments.	Kariminezhad E, Elektorowicz M	29655534 ENCS
12	Effect of various electrokinetic treatment regimes on solids surface properties and thermal behavior of oil sediments.	Kariminezhad E, Elektorowicz M	29674097 ENCS
13	Assessment of Microbial Community Structure and Function in Serially Passaged Wastewater Electro-Bioreactor Sludge: An Approach to Enhance Sludge Settleability.	ElNaker NA, Elektorowicz M, Naddeo V, Hasan SW, Yousef AF	29725134 ENCS
14	Effect of long-term electrodialytic soil remediation on Pb removal and soil weathering.	Skibsted G, Ottosen LM, Elektorowicz M, Jensen PE	29801718 ENCS
15	Electrokinetically assisted oil-water phase separation in oily sludge with implementing novel controller system.	Fellah Jahromi A, Elektorowicz M	30014933 ENCS
16	Electrokinetic nondestructive in-situ technique for rehabilitation of liners damaged by fuels.	Bani Baker M, Elektorowicz M, Hanna A	30086521 ENCS

Title:	Simulation and computer modeling of asphaltene in different solvents on oil-water interfaces using a molecular dynamic methodology.
Authors:	Yuan J, Elektorowicz M, Chen Z, Segun GA, Vakili M, Zhong L, Wang B, Zhu J, Wu Y
Link:	https://www.ncbi.nlm.nih.gov/pubmed/31542686?dopt=Abstract
DOI:	10.1016/j.jmgm.2019.107450
Publication:	Journal of molecular graphics & modelling
Keywords:	Asphaltene'; s aggregation; Dynamics properties; Molecular dynamic (MD) simulation; Water-oil interfaces;
PMID:	31542686	Category:	J Mol Graph Model	Date Added:	2019-09-23
Dept Affiliation:	ENCS 1 Green Intelligence Environmental School, Yangtze Normal University, China; CanmetENERGY Devon Research Centre, Natural Resources Canada, 1 Oil Patch Drive, Devon, Alberta, T9G 1A8, Canada; Department of Building, Civil, and Environmental Engineering, Concordia University, Montreal, Quebec, H3G1M8, Canada; University of Alberta, 9211-116, Street NW, T6G 1H9, Edmonton, Alberta, Canada. Electronic address: 20180014@yznu.cn. 2 Department of Building, Civil, and Environmental Engineering, Concordia University, Montreal, Quebec, H3G1M8, Canada. 3 Green Intelligence Environmental School, Yangtze Normal University, China. 4 University of Alberta, 9211-116, Street NW, T6G 1H9, Edmonton, Alberta, Canada.

Description:

Simulation and computer modeling of asphaltene in different solvents on oil-water interfaces using a molecular dynamic methodology.

J Mol Graph Model. 2019 Sep 13;93:107450

Authors: Yuan J, Elektorowicz M, Chen Z, Segun GA, Vakili M, Zhong L, Wang B, Zhu J, Wu Y

Abstract

Molecular dynamics (MD) simulations were used to study the thermodynamic properties of asphalt binder components, namely asphaltene, and other solvents, such as pentane or toluene, before and after adding pentane or toluene. The two systems were compared by MD simulation under lots of molecules, temperature and pressure to predict their internal energy, structure, and density as a function of time or distance between molecules. Then the simulation results of the two systems were analyzed and compared to determine the influence of different solvents on asphaltene aggregation behavior. The results show that the asphaltenes with pentane or toluene in the two systems have different structure and dynamic characteristics and will produce different precipitation and aggregation characteristics. The aggregation behavior of asphaltene at water - oil interface with or without pentane or toluene was studied. The relationship between the molecular structure and the aggregation of asphaltene in different solvents was investigated.

PMID: 31542686 [PubMed - as supplied by publisher]

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