General analytical solutions of multispecies advective-dispersive solute transport equations coupled with a complex reaction network

Zhong Yi Liao, Heejun Suk, Cheng Hung Chang, Ching Ping Liang, Chen Wuing Liu, Jui Sheng Chen

Research output: Contribution to journalArticlepeer-review

5 Scopus citations

Abstract

Stepwise reductive dechlorination of tetrachloroethene (PCE) to trichloroethene (TCE), three dichloroethylene (DCE) isomers (1,1-DCE, cis −1,2- DCE, and trans −1,2- DCE), vinyl chloride (VC), and ethane (ETH) may proceed under anaerobic conditions. However, most multispecies transport models for describing the plume migration of a chemical mixture comprising the original chlorinated solvent and its dechlorinated byproducts in the literature are often simplified to a sequential first-order reaction network which cannot account for the divergent reactions from TCE to the three DCE isomers and convergent reactions from the three DCE isomers to VC. In this study, general analytical solutions to multispecies transport equations with a complex reaction network were derived for a combination of semi-infinite and finite systems. The developed analytical solutions were robustly verified against a semi-analytical solution that can consider the same complex reaction network. The verification results indicated that the derived analytical solutions were accurate and robust. The general solutions derived in the present study were also used to investigate the effects of the outlet boundary conditions on solute transport involving a complex reaction network. The results showed that the analytical solution derived for infinite outlet BCs predicted lower concentrations of contaminants near the outlet boundary than those for finite outlet BCs. Moreover, a straight decay chain model may over- or under- estimate the DCE and VC concentrations compared to the multiple branching isomer reaction model. The developed analytical solutions with a complex reaction network provide more realistic and efficient tools for assessing the movement of chlorinated solvents and their degradation-related byproducts in soil–water systems.

Original languageEnglish
Article number128633
JournalJournal of Hydrology
Volume615
DOIs
StatePublished - Dec 2022

Keywords

  • Analytical solutions
  • Complex reaction network
  • Finite system
  • Multispecies
  • Semi-infinite system

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