Quantifying the Critical Micelle Concentration of Nonionic and Ionic Surfactants by Self-Consistent Field Theory Article Swipe

PDF

Chao Duan , Mu Wang , Ahmad Ghobadi , David Eike , Rui Wang ·

YOU? · · 2024 · Open Access · · DOI: https://doi.org/10.48550/arxiv.2412.03549

Quantifying the critical micelle concentration (CMC) and understanding its relationship with both the intrinsic molecular structures and environmental conditions are crucial for the rational design of surfactants. Here, we develop a self-consistent field theory which unifies the study of CMC, micellar structure and kinetic pathway of micellization in one framework. The long-range electrostatic interactions are accurately treated, which not only makes the theory applicable to both nonionic and ionic surfactants but also enables us to capture a variety of salt effects. The effectiveness and versatility of the theory is verified by applying it to three types of commonly used surfactants. For polyoxyethylene alkyl ethers (C$_m$E$_n$) surfactants, we predict a wide span of CMC from $10^{-6}$ to $10^{-2}$M as the composition parameters $m$ and $n$ are adjusted. For the ionic sodium dodecyl sulfate (SDS) surfactant, we show the decrease of CMC as salt concentration increases, and capture both the specific cation effect and the specific anion effect. Furthermore, for sodium lauryl ether sulfate (SLES) surfactants, we find a non-monotonic dependence of both the CMC and micelle size on the number of oxyethylene groups. Our theoretical predictions of CMC are in quantitative agreement with experimental data reported in literature for all the three types of surfactants.

Related Topics

Concepts

Critical micelle concentration Micelle Thermodynamics of micellization Field (mathematics) Ionic bonding Chemistry Materials science Physical chemistry Organic chemistry Mathematics Aqueous solution Ion Pure mathematics

Metadata

Type: preprint
Language: en
Landing Page: http://arxiv.org/abs/2412.03549
PDF: https://arxiv.org/pdf/2412.03549
OA Status: green
Related Works: 10
OpenAlex ID: https://openalex.org/W4405036132

All OpenAlex metadata

Raw OpenAlex JSON

OpenAlex ID: https://openalex.org/W4405036132

Canonical identifier for this work in OpenAlex
DOI: https://doi.org/10.48550/arxiv.2412.03549

Digital Object Identifier
Title: Quantifying the Critical Micelle Concentration of Nonionic and Ionic Surfactants by Self-Consistent Field Theory

Work title
Type: preprint

OpenAlex work type
Language: en

Primary language
Publication year: 2024

Year of publication
Publication date: 2024-12-04

Full publication date if available
Authors: Chao Duan, Mu Wang, Ahmad Ghobadi, David Eike, Rui Wang

List of authors in order
Landing page: https://arxiv.org/abs/2412.03549

Publisher landing page
PDF URL: https://arxiv.org/pdf/2412.03549

Direct link to full text PDF
Open access: Yes

Whether a free full text is available
OA status: green

Open access status per OpenAlex
OA URL: https://arxiv.org/pdf/2412.03549

Direct OA link when available
Concepts: Critical micelle concentration, Micelle, Thermodynamics of micellization, Field (mathematics), Ionic bonding, Chemistry, Materials science, Physical chemistry, Organic chemistry, Mathematics, Aqueous solution, Ion, Pure mathematics

Top concepts (fields/topics) attached by OpenAlex
Cited by: 0

Total citation count in OpenAlex
Related works (count): 10

Other works algorithmically related by OpenAlex

Full payload

id	https://openalex.org/W4405036132
doi	https://doi.org/10.48550/arxiv.2412.03549
ids.doi	https://doi.org/10.48550/arxiv.2412.03549
ids.openalex	https://openalex.org/W4405036132
fwci
type	preprint
title	Quantifying the Critical Micelle Concentration of Nonionic and Ionic Surfactants by Self-Consistent Field Theory
biblio.issue
biblio.volume
biblio.last_page
biblio.first_page
topics[0].id	https://openalex.org/T10721
topics[0].field.id	https://openalex.org/fields/16
topics[0].field.display_name	Chemistry
topics[0].score	0.9987999796867371
topics[0].domain.id	https://openalex.org/domains/3
topics[0].domain.display_name	Physical Sciences
topics[0].subfield.id	https://openalex.org/subfields/1605
topics[0].subfield.display_name	Organic Chemistry
topics[0].display_name	Surfactants and Colloidal Systems
topics[1].id	https://openalex.org/T12274
topics[1].field.id	https://openalex.org/fields/16
topics[1].field.display_name	Chemistry
topics[1].score	0.9934999942779541
topics[1].domain.id	https://openalex.org/domains/3
topics[1].domain.display_name	Physical Sciences
topics[1].subfield.id	https://openalex.org/subfields/1606
topics[1].subfield.display_name	Physical and Theoretical Chemistry
topics[1].display_name	Electrostatics and Colloid Interactions
topics[2].id	https://openalex.org/T10412
topics[2].field.id	https://openalex.org/fields/22
topics[2].field.display_name	Engineering
topics[2].score	0.9657999873161316
topics[2].domain.id	https://openalex.org/domains/3
topics[2].domain.display_name	Physical Sciences
topics[2].subfield.id	https://openalex.org/subfields/2204
topics[2].subfield.display_name	Biomedical Engineering
topics[2].display_name	Microfluidic and Capillary Electrophoresis Applications
is_xpac	False
apc_list
apc_paid
concepts[0].id	https://openalex.org/C64237528
concepts[0].level	4
concepts[0].score	0.7580101490020752
concepts[0].wikidata	https://www.wikidata.org/wiki/Q607000
concepts[0].display_name	Critical micelle concentration
concepts[1].id	https://openalex.org/C11268172
concepts[1].level	3
concepts[1].score	0.6621345281600952
concepts[1].wikidata	https://www.wikidata.org/wiki/Q421110
concepts[1].display_name	Micelle
concepts[2].id	https://openalex.org/C68348359
concepts[2].level	5
concepts[2].score	0.5667834877967834
concepts[2].wikidata	https://www.wikidata.org/wiki/Q7783167
concepts[2].display_name	Thermodynamics of micellization
concepts[3].id	https://openalex.org/C9652623
concepts[3].level	2
concepts[3].score	0.5640246272087097
concepts[3].wikidata	https://www.wikidata.org/wiki/Q190109
concepts[3].display_name	Field (mathematics)
concepts[4].id	https://openalex.org/C2182769
concepts[4].level	3
concepts[4].score	0.5334886312484741
concepts[4].wikidata	https://www.wikidata.org/wiki/Q62500
concepts[4].display_name	Ionic bonding
concepts[5].id	https://openalex.org/C185592680
concepts[5].level	0
concepts[5].score	0.3334934711456299
concepts[5].wikidata	https://www.wikidata.org/wiki/Q2329
concepts[5].display_name	Chemistry
concepts[6].id	https://openalex.org/C192562407
concepts[6].level	0
concepts[6].score	0.32117366790771484
concepts[6].wikidata	https://www.wikidata.org/wiki/Q228736
concepts[6].display_name	Materials science
concepts[7].id	https://openalex.org/C147789679
concepts[7].level	1
concepts[7].score	0.15427321195602417
concepts[7].wikidata	https://www.wikidata.org/wiki/Q11372
concepts[7].display_name	Physical chemistry
concepts[8].id	https://openalex.org/C178790620
concepts[8].level	1
concepts[8].score	0.1420685052871704
concepts[8].wikidata	https://www.wikidata.org/wiki/Q11351
concepts[8].display_name	Organic chemistry
concepts[9].id	https://openalex.org/C33923547
concepts[9].level	0
concepts[9].score	0.09634074568748474
concepts[9].wikidata	https://www.wikidata.org/wiki/Q395
concepts[9].display_name	Mathematics
concepts[10].id	https://openalex.org/C184651966
concepts[10].level	2
concepts[10].score	0.07976824045181274
concepts[10].wikidata	https://www.wikidata.org/wiki/Q906356
concepts[10].display_name	Aqueous solution
concepts[11].id	https://openalex.org/C145148216
concepts[11].level	2
concepts[11].score	0.05921599268913269
concepts[11].wikidata	https://www.wikidata.org/wiki/Q36496
concepts[11].display_name	Ion
concepts[12].id	https://openalex.org/C202444582
concepts[12].level	1
concepts[12].score	0.0
concepts[12].wikidata	https://www.wikidata.org/wiki/Q837863
concepts[12].display_name	Pure mathematics
keywords[0].id	https://openalex.org/keywords/critical-micelle-concentration
keywords[0].score	0.7580101490020752
keywords[0].display_name	Critical micelle concentration
keywords[1].id	https://openalex.org/keywords/micelle
keywords[1].score	0.6621345281600952
keywords[1].display_name	Micelle
keywords[2].id	https://openalex.org/keywords/thermodynamics-of-micellization
keywords[2].score	0.5667834877967834
keywords[2].display_name	Thermodynamics of micellization
keywords[3].id	https://openalex.org/keywords/field
keywords[3].score	0.5640246272087097
keywords[3].display_name	Field (mathematics)
keywords[4].id	https://openalex.org/keywords/ionic-bonding
keywords[4].score	0.5334886312484741
keywords[4].display_name	Ionic bonding
keywords[5].id	https://openalex.org/keywords/chemistry
keywords[5].score	0.3334934711456299
keywords[5].display_name	Chemistry
keywords[6].id	https://openalex.org/keywords/materials-science
keywords[6].score	0.32117366790771484
keywords[6].display_name	Materials science
keywords[7].id	https://openalex.org/keywords/physical-chemistry
keywords[7].score	0.15427321195602417
keywords[7].display_name	Physical chemistry
keywords[8].id	https://openalex.org/keywords/organic-chemistry
keywords[8].score	0.1420685052871704
keywords[8].display_name	Organic chemistry
keywords[9].id	https://openalex.org/keywords/mathematics
keywords[9].score	0.09634074568748474
keywords[9].display_name	Mathematics
keywords[10].id	https://openalex.org/keywords/aqueous-solution
keywords[10].score	0.07976824045181274
keywords[10].display_name	Aqueous solution
keywords[11].id	https://openalex.org/keywords/ion
keywords[11].score	0.05921599268913269
keywords[11].display_name	Ion
language	en
locations[0].id	pmh:oai:arXiv.org:2412.03549
locations[0].is_oa	True
locations[0].source.id	https://openalex.org/S4306400194
locations[0].source.issn
locations[0].source.type	repository
locations[0].source.is_oa	True
locations[0].source.issn_l
locations[0].source.is_core	False
locations[0].source.is_in_doaj	False
locations[0].source.display_name	arXiv (Cornell University)
locations[0].source.host_organization	https://openalex.org/I205783295
locations[0].source.host_organization_name	Cornell University
locations[0].source.host_organization_lineage	https://openalex.org/I205783295
locations[0].license
locations[0].pdf_url	https://arxiv.org/pdf/2412.03549
locations[0].version	submittedVersion
locations[0].raw_type	text
locations[0].license_id
locations[0].is_accepted	False
locations[0].is_published	False
locations[0].raw_source_name
locations[0].landing_page_url	http://arxiv.org/abs/2412.03549
locations[1].id	doi:10.48550/arxiv.2412.03549
locations[1].is_oa	True
locations[1].source.id	https://openalex.org/S4306400194
locations[1].source.issn
locations[1].source.type	repository
locations[1].source.is_oa	True
locations[1].source.issn_l
locations[1].source.is_core	False
locations[1].source.is_in_doaj	False
locations[1].source.display_name	arXiv (Cornell University)
locations[1].source.host_organization	https://openalex.org/I205783295
locations[1].source.host_organization_name	Cornell University
locations[1].source.host_organization_lineage	https://openalex.org/I205783295
locations[1].license	cc-by
locations[1].pdf_url
locations[1].version
locations[1].raw_type	article
locations[1].license_id	https://openalex.org/licenses/cc-by
locations[1].is_accepted	False
locations[1].is_published
locations[1].raw_source_name
locations[1].landing_page_url	https://doi.org/10.48550/arxiv.2412.03549
indexed_in	arxiv, datacite
authorships[0].author.id	https://openalex.org/A5101919856
authorships[0].author.orcid	https://orcid.org/0000-0003-0041-832X
authorships[0].author.display_name	Chao Duan
authorships[0].author_position	first
authorships[0].raw_author_name	Duan, Chao
authorships[0].is_corresponding	False
authorships[1].author.id	https://openalex.org/A5048663075
authorships[1].author.orcid	https://orcid.org/0000-0002-3823-1272
authorships[1].author.display_name	Mu Wang
authorships[1].author_position	middle
authorships[1].raw_author_name	Wang, Mu
authorships[1].is_corresponding	False
authorships[2].author.id	https://openalex.org/A5027188459
authorships[2].author.orcid
authorships[2].author.display_name	Ahmad Ghobadi
authorships[2].author_position	middle
authorships[2].raw_author_name	Ghobadi, Ahmad
authorships[2].is_corresponding	False
authorships[3].author.id	https://openalex.org/A5020773847
authorships[3].author.orcid
authorships[3].author.display_name	David Eike
authorships[3].author_position	middle
authorships[3].raw_author_name	Eike, David M.
authorships[3].is_corresponding	False
authorships[4].author.id	https://openalex.org/A5115596056
authorships[4].author.orcid	https://orcid.org/0009-0007-8089-7653
authorships[4].author.display_name	Rui Wang
authorships[4].author_position	last
authorships[4].raw_author_name	Wang, Rui
authorships[4].is_corresponding	False
has_content.pdf	False
has_content.grobid_xml	False
is_paratext	False
open_access.is_oa	True
open_access.oa_url	https://arxiv.org/pdf/2412.03549
open_access.oa_status	green
open_access.any_repository_has_fulltext	False
created_date	2025-10-10T00:00:00
display_name	Quantifying the Critical Micelle Concentration of Nonionic and Ionic Surfactants by Self-Consistent Field Theory
has_fulltext	False
is_retracted	False
updated_date	2025-11-06T06:51:31.235846
primary_topic.id	https://openalex.org/T10721
primary_topic.field.id	https://openalex.org/fields/16
primary_topic.field.display_name	Chemistry
primary_topic.score	0.9987999796867371
primary_topic.domain.id	https://openalex.org/domains/3
primary_topic.domain.display_name	Physical Sciences
primary_topic.subfield.id	https://openalex.org/subfields/1605
primary_topic.subfield.display_name	Organic Chemistry
primary_topic.display_name	Surfactants and Colloidal Systems
related_works	https://openalex.org/W2032599779, https://openalex.org/W2402853679, https://openalex.org/W2092124864, https://openalex.org/W2060442009, https://openalex.org/W764728822, https://openalex.org/W2004634237, https://openalex.org/W2350893960, https://openalex.org/W2334474745, https://openalex.org/W2149271184, https://openalex.org/W2371904876
cited_by_count	0
locations_count	2
best_oa_location.id	pmh:oai:arXiv.org:2412.03549
best_oa_location.is_oa	True
best_oa_location.source.id	https://openalex.org/S4306400194
best_oa_location.source.issn
best_oa_location.source.type	repository
best_oa_location.source.is_oa	True
best_oa_location.source.issn_l
best_oa_location.source.is_core	False
best_oa_location.source.is_in_doaj	False
best_oa_location.source.display_name	arXiv (Cornell University)
best_oa_location.source.host_organization	https://openalex.org/I205783295
best_oa_location.source.host_organization_name	Cornell University
best_oa_location.source.host_organization_lineage	https://openalex.org/I205783295
best_oa_location.license
best_oa_location.pdf_url	https://arxiv.org/pdf/2412.03549
best_oa_location.version	submittedVersion
best_oa_location.raw_type	text
best_oa_location.license_id
best_oa_location.is_accepted	False
best_oa_location.is_published	False
best_oa_location.raw_source_name
best_oa_location.landing_page_url	http://arxiv.org/abs/2412.03549
primary_location.id	pmh:oai:arXiv.org:2412.03549
primary_location.is_oa	True
primary_location.source.id	https://openalex.org/S4306400194
primary_location.source.issn
primary_location.source.type	repository
primary_location.source.is_oa	True
primary_location.source.issn_l
primary_location.source.is_core	False
primary_location.source.is_in_doaj	False
primary_location.source.display_name	arXiv (Cornell University)
primary_location.source.host_organization	https://openalex.org/I205783295
primary_location.source.host_organization_name	Cornell University
primary_location.source.host_organization_lineage	https://openalex.org/I205783295
primary_location.license
primary_location.pdf_url	https://arxiv.org/pdf/2412.03549
primary_location.version	submittedVersion
primary_location.raw_type	text
primary_location.license_id
primary_location.is_accepted	False
primary_location.is_published	False
primary_location.raw_source_name
primary_location.landing_page_url	http://arxiv.org/abs/2412.03549
publication_date	2024-12-04
publication_year	2024
referenced_works_count	0
abstract_inverted_index.a	30, 76, 108, 166
abstract_inverted_index.as	117, 140
abstract_inverted_index.by	90
abstract_inverted_index.in	47, 188, 195
abstract_inverted_index.is	88
abstract_inverted_index.it	92
abstract_inverted_index.of	25, 38, 45, 78, 85, 96, 111, 138, 169, 179, 185, 202
abstract_inverted_index.on	176
abstract_inverted_index.to	64, 74, 93, 115
abstract_inverted_index.us	73
abstract_inverted_index.we	28, 106, 134, 164
abstract_inverted_index.$m$	121
abstract_inverted_index.$n$	123
abstract_inverted_index.CMC	112, 139, 172, 186
abstract_inverted_index.For	100, 126
abstract_inverted_index.Our	182
abstract_inverted_index.The	50, 81
abstract_inverted_index.all	198
abstract_inverted_index.and	6, 16, 42, 67, 83, 122, 144, 151, 173
abstract_inverted_index.are	19, 54, 124, 187
abstract_inverted_index.but	70
abstract_inverted_index.for	21, 157, 197
abstract_inverted_index.its	8
abstract_inverted_index.not	58
abstract_inverted_index.one	48
abstract_inverted_index.the	1, 12, 22, 36, 61, 86, 118, 127, 136, 147, 152, 171, 177, 199
abstract_inverted_index.CMC,	39
abstract_inverted_index.also	71
abstract_inverted_index.both	11, 65, 146, 170
abstract_inverted_index.data	193
abstract_inverted_index.find	165
abstract_inverted_index.from	113
abstract_inverted_index.only	59
abstract_inverted_index.salt	79, 141
abstract_inverted_index.show	135
abstract_inverted_index.size	175
abstract_inverted_index.span	110
abstract_inverted_index.used	98
abstract_inverted_index.wide	109
abstract_inverted_index.with	10, 191
abstract_inverted_index.(CMC)	5
abstract_inverted_index.(SDS)	132
abstract_inverted_index.Here,	27
abstract_inverted_index.alkyl	102
abstract_inverted_index.anion	154
abstract_inverted_index.ether	160
abstract_inverted_index.field	32
abstract_inverted_index.ionic	68, 128
abstract_inverted_index.makes	60
abstract_inverted_index.study	37
abstract_inverted_index.three	94, 200
abstract_inverted_index.types	95, 201
abstract_inverted_index.which	34, 57
abstract_inverted_index.(SLES)	162
abstract_inverted_index.cation	149
abstract_inverted_index.design	24
abstract_inverted_index.effect	150
abstract_inverted_index.ethers	103
abstract_inverted_index.lauryl	159
abstract_inverted_index.number	178
abstract_inverted_index.sodium	129, 158
abstract_inverted_index.theory	33, 62, 87
abstract_inverted_index.capture	75, 145
abstract_inverted_index.crucial	20
abstract_inverted_index.develop	29
abstract_inverted_index.dodecyl	130
abstract_inverted_index.effect.	155
abstract_inverted_index.enables	72
abstract_inverted_index.groups.	181
abstract_inverted_index.kinetic	43
abstract_inverted_index.micelle	3, 174
abstract_inverted_index.pathway	44
abstract_inverted_index.predict	107
abstract_inverted_index.sulfate	131, 161
abstract_inverted_index.unifies	35
abstract_inverted_index.variety	77
abstract_inverted_index.applying	91
abstract_inverted_index.commonly	97
abstract_inverted_index.critical	2
abstract_inverted_index.decrease	137
abstract_inverted_index.effects.	80
abstract_inverted_index.micellar	40
abstract_inverted_index.nonionic	66
abstract_inverted_index.rational	23
abstract_inverted_index.reported	194
abstract_inverted_index.specific	148, 153
abstract_inverted_index.treated,	56
abstract_inverted_index.verified	89
abstract_inverted_index.$10^{-6}$	114
abstract_inverted_index.adjusted.	125
abstract_inverted_index.agreement	190
abstract_inverted_index.intrinsic	13
abstract_inverted_index.molecular	14
abstract_inverted_index.structure	41
abstract_inverted_index.$10^{-2}$M	116
abstract_inverted_index.accurately	55
abstract_inverted_index.applicable	63
abstract_inverted_index.conditions	18
abstract_inverted_index.dependence	168
abstract_inverted_index.framework.	49
abstract_inverted_index.increases,	143
abstract_inverted_index.literature	196
abstract_inverted_index.long-range	51
abstract_inverted_index.parameters	120
abstract_inverted_index.structures	15
abstract_inverted_index.Quantifying	0
abstract_inverted_index.composition	119
abstract_inverted_index.oxyethylene	180
abstract_inverted_index.predictions	184
abstract_inverted_index.surfactant,	133
abstract_inverted_index.surfactants	69
abstract_inverted_index.theoretical	183
abstract_inverted_index.versatility	84
abstract_inverted_index.(C$_m$E$_n$)	104
abstract_inverted_index.Furthermore,	156
abstract_inverted_index.experimental	192
abstract_inverted_index.interactions	53
abstract_inverted_index.quantitative	189
abstract_inverted_index.relationship	9
abstract_inverted_index.surfactants,	105, 163
abstract_inverted_index.surfactants.	26, 99, 203
abstract_inverted_index.concentration	4, 142
abstract_inverted_index.effectiveness	82
abstract_inverted_index.electrostatic	52
abstract_inverted_index.environmental	17
abstract_inverted_index.micellization	46
abstract_inverted_index.non-monotonic	167
abstract_inverted_index.understanding	7
abstract_inverted_index.polyoxyethylene	101
abstract_inverted_index.self-consistent	31
cited_by_percentile_year
countries_distinct_count	0
institutions_distinct_count	5
citation_normalized_percentile