{"id":{"repo_id":"uiuc","oai_identifier":"oai:www.ideals.illinois.edu:2142/92671"},"canonical_url":"https://search.dev.ndltd.org/etd/uiuc/oai:www.ideals.illinois.edu:2142/92671","repository":{"repo_id":"uiuc","name":"University of Illinois - Urbana-Champaign","base_url":"https://www.ideals.illinois.edu/oai-pmh"},"display":{"title":"Molybdenum disulfide nanoporous membranes for water desalination","abstract":"We demonstrate molybdenum disulfide (MoS2) as a nano porous membrane for water desalination. By performing extensive molecular dynamics simulations, we find that a nanopore in a single-layer MoS2 can effectively reject salt ions and allow transport of water at a high rate. More than 88% of ions are rejected by membranes having pore areas ranging from 20 to 60 A^2. Water flux through the nanoporous MoS2 membrane is found to be 2 to 5 orders of magnitude greater than that of other known nanoporous membranes (MFI-type zeolite, commercial polymeric seawater Reverse Osmosis (RO), brackish RO, Nanofiltration and High-flux RO). Pore chemistry and architecture are shown to play a significant role in modulating the water flux. MoS2 pores with only molybdenum atoms on their edges give rise to higher fluxes which are about 70% greater than that of graphene nanopores. These observations are explained by the permeation coefficients, energy barriers, water density and velocity distributions in the pores. Our findings pave way towards identifying efficient membranes for water desalination.","abstract_html":"We demonstrate molybdenum disulfide (MoS2) as a nano porous membrane for water desalination. By performing extensive molecular dynamics simulations, we find that a nanopore in a single-layer MoS2 can effectively reject salt ions and allow transport of water at a high rate. More than 88% of ions are rejected by membranes having pore areas ranging from 20 to 60 A^2. Water flux through the nanoporous MoS2 membrane is found to be 2 to 5 orders of magnitude greater than that of other known nanoporous membranes (MFI-type zeolite, commercial polymeric seawater Reverse Osmosis (RO), brackish RO, Nanofiltration and High-flux RO). Pore chemistry and architecture are shown to play a significant role in modulating the water flux. MoS2 pores with only molybdenum atoms on their edges give rise to higher fluxes which are about 70% greater than that of graphene nanopores. These observations are explained by the permeation coefficients, energy barriers, water density and velocity distributions in the pores. Our findings pave way towards identifying efficient membranes for water desalination.","abstract_has_math":false,"creators":["Heiranian, Mohammad"],"institution":"University of Illinois at Urbana-Champaign","degree_name":"M.S.","degree_level":"Thesis","degree_discipline":"Theoretical & Applied Mechanics","degree_department":null,"school":null,"contributors":["Aluru, Narayana R."],"advisors":[],"committee_chairs":[],"committee_members":[],"year":2016,"date_issued":"2016-11-10T17:49:13Z","date_published":"2016-11-10T17:49:13Z","updated_at":"2026-07-22T22:26:35Z","subjects":["Water Desalination","Single-Layer MoS2","Nanopores","Graphene","Hourglass nanopore","Nanofluidics","Transition Metal Dichalcogenide"],"languages":["en"],"rights":["Copyright 2016 Mohammad Heiranian"],"rights_urls":[],"identifier_entries":[]},"links":{"outbound_url":"http://hdl.handle.net/2142/92671","outbound_label":"Handle","outbound_source":"dc:identifier"},"metadata_groups":[{"id":"people","label":"People","entries":[{"key":"dc:contributor","label":"Contributor","values":["Aluru, Narayana R."]},{"key":"dc:creator","label":"Author","values":["Heiranian, Mohammad"]}]},{"id":"academic_context","label":"Academic Context","entries":[{"key":"dc:date","label":"Dc Date","values":["2016-11-10T17:49:13Z","2016-07-21","2016-08"]},{"key":"dc:type","label":"Dc Type","values":["text"]},{"key":"thesis:degree_discipline","label":"Discipline","values":["Theoretical & Applied Mechanics"]},{"key":"thesis:degree_level","label":"Degree Level","values":["Thesis"]},{"key":"thesis:degree_name","label":"Degree Name","values":["M.S."]},{"key":"thesis:institution_name","label":"Thesis Institution Name","values":["University of Illinois at Urbana-Champaign"]}]},{"id":"subjects_keywords","label":"Subjects and Keywords","entries":[{"key":"dc:subject","label":"Dc Subject","values":["Water Desalination","Single-Layer MoS2","Nanopores","Graphene","Hourglass nanopore","Nanofluidics","Transition Metal Dichalcogenide"]}]},{"id":"language_rights","label":"Language and Rights","entries":[{"key":"dc:language","label":"Dc Language","values":["en"]},{"key":"dc:rights","label":"Dc Rights","values":["Copyright 2016 Mohammad Heiranian"]}]},{"id":"identifiers","label":"Identifiers","entries":[{"key":"dc:identifier","label":"Identifier","values":["http://hdl.handle.net/2142/92671"]}]},{"id":"additional","label":"Additional Metadata","entries":[{"key":"dc:description","label":"Description","values":["We demonstrate molybdenum disulfide (MoS2) as a nano porous membrane for water desalination. By performing extensive molecular dynamics simulations, we find that a nanopore in a single-layer MoS2 can effectively reject salt ions and allow transport of water at a high rate. More than 88% of ions are rejected by membranes having pore areas ranging from 20 to 60 A^2. Water flux through the nanoporous MoS2 membrane is found to be 2 to 5 orders of magnitude greater than that of other known nanoporous membranes (MFI-type zeolite, commercial polymeric seawater Reverse Osmosis (RO), brackish RO, Nanofiltration and High-flux RO). Pore chemistry and architecture are shown to play a significant role in modulating the water flux. MoS2 pores with only molybdenum atoms on their edges give rise to higher fluxes which are about 70% greater than that of graphene nanopores. These observations are explained by the permeation coefficients, energy barriers, water density and velocity distributions in the pores. Our findings pave way towards identifying efficient membranes for water desalination.","Submission original under an indefinite embargo labeled 'Open Access'. The submission was exported from vireo on 2016-11-09 without embargo terms","The student, Mohammad Heiranian, accepted the attached license on 2016-07-21 at 09:49.","The student, Mohammad Heiranian, submitted this Thesis for approval on 2016-07-21 at 09:58.","This Thesis was approved for publication on 2016-07-21 at 15:28.","DSpace SAF Submission Ingestion Package generated from Vireo submission #10051 on 2016-11-09 at 10:26:00","Made available in DSpace on 2016-11-10T17:49:13Z (GMT). No. of bitstreams: 2 HEIRANIAN-THESIS-2016.pdf: 2106461 bytes, checksum: d775f79b0080f7cb3cdf87764b7b4fbf (MD5) LICENSE.txt: 4215 bytes, checksum: 4588ba016adff1c4da9ec16ea35403a8 (MD5) Previous issue date: 2016-07-21"]},{"key":"dc:format","label":"Dc Format","values":["application/pdf"]},{"key":"dc:title","label":"Title","values":["Molybdenum disulfide nanoporous membranes for water desalination"]}]}],"canonical_facts":{"dc:contributor":["Aluru, Narayana R."],"dc:creator":["Heiranian, Mohammad"],"dc:date":["2016-11-10T17:49:13Z","2016-07-21","2016-08"],"dc:description":["We demonstrate molybdenum disulfide (MoS2) as a nano porous membrane for water desalination. By performing extensive molecular dynamics simulations, we find that a nanopore in a single-layer MoS2 can effectively reject salt ions and allow transport of water at a high rate. More than 88% of ions are rejected by membranes having pore areas ranging from 20 to 60 A^2. Water flux through the nanoporous MoS2 membrane is found to be 2 to 5 orders of magnitude greater than that of other known nanoporous membranes (MFI-type zeolite, commercial polymeric seawater Reverse Osmosis (RO), brackish RO, Nanofiltration and High-flux RO). Pore chemistry and architecture are shown to play a significant role in modulating the water flux. MoS2 pores with only molybdenum atoms on their edges give rise to higher fluxes which are about 70% greater than that of graphene nanopores. These observations are explained by the permeation coefficients, energy barriers, water density and velocity distributions in the pores. Our findings pave way towards identifying efficient membranes for water desalination.","Submission original under an indefinite embargo labeled 'Open Access'. The submission was exported from vireo on 2016-11-09 without embargo terms","The student, Mohammad Heiranian, accepted the attached license on 2016-07-21 at 09:49.","The student, Mohammad Heiranian, submitted this Thesis for approval on 2016-07-21 at 09:58.","This Thesis was approved for publication on 2016-07-21 at 15:28.","DSpace SAF Submission Ingestion Package generated from Vireo submission #10051 on 2016-11-09 at 10:26:00","Made available in DSpace on 2016-11-10T17:49:13Z (GMT). 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