PhD project: Modeling of Electrolyte Systems using the Non-Primitive Approach at Danmarks Tekniske Universitet

Expires in 12 days

A PhD position, starting March 1 2021 or as soon as possible after that, is available in the area of electrolyte thermodynamics. The duration of the position is three years.

Several modern electrolyte models are electrolyte equations of state (e-EoS in brief). Most practical engineering models, either based on e-EoS or activity coefficients, follow the so-called primitive approach, where the solvent (e.g. water) is considered to be a dielectric continuum characterized by its dielectric constant (relative static permittivity). Very few models in literature are based on the non-primitive approach, where water (solvent) is treated as a (dipolar) molecule interacting directly with ions, and this despite that such “non-primitive” approaches may be considered theoretically to be more accurate as all intermolecular interactions can be accounted for.

The purpose of this project is to develop a non-primitive electrolyte equation of state based on an association theory (CPA or PC-SAFT) as basis for the “physical” interactions, coupled with suitable dipolar and electrostatic terms. The accurate representation of the solvents and interactions with ions is of crucial importance as well as an enhanced study of dielectric effects. The project will follow a pragmatic approach where the target is to uncover the capabilities and limitations of the non-primitive approach over a wide range of conditions, properties and systems and to compare with the results obtained in other projects using the primitive approach.

Responsibilities and tasks

The appointment will be at the Technical University of Denmark (DTU), Department of Chemical and Biochemical Engineering (Center for Energy Resources Engineering). The project is carried out as a part of the ERC Advanced Grant “New Paradigm in Electrolyte Thermodynamics” and is expected to involve travels and interactions with other researchers employed under the same project.

Qualifications

Candidates for the PhD positions should have a two-year master's degree (120 ECTS points) or a similar degree with an academic level equivalent to a two-year master's degree.

We offer

DTU is a leading technical university globally recognized for the excellence of its research, education, innovation and scientific advice. We offer a rewarding and challenging job in an international environment. We strive for academic excellence in an environment characterized by collegial respect and academic freedom tempered by responsibility.

Application

Applications must be submitted as one PDF file containing all materials to be given consideration. To apply, please open the link "Apply online", fill out the online application form, and attach all your materials in English in one PDF file.

The file must include

  • A letter motivating the application (cover letter)
  • Curriculum Vitale
  • BSc/MSc diploma and grade transcripts
  • Excel sheet with translation of grades to the Danish grading system

Remember to mention that you found this position on DTU Job Bank