PhD project: Modeling of Electrolyte Systems using the Non-Primitive Approach

Tuesday 13 Oct 20

Apply for this job

Apply no later than 31 December 2020
Apply for the job at DTU Chemical Eng. by completing the following form.

Apply online

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. 

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.

Approval and Enrolment 
The scholarship for the PhD degree is subject to academic approval, and the candidate will be enrolled in one of the general degree programmes at DTU. For information about our enrolment requirements and the general planning of the PhD study programme, please see the DTU PhD Guide

The assessment of the applicants will be made by Professor Georgios M. Kontogeorgis and associate professor Xiaodong Liang. 

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. 

Salary and terms of employment
The appointment will be based on the collective agreement with the Danish Confederation of Professional Associations. The allowance will be agreed upon with the relevant union. The period of employment is three years.  

You can read more about 
career paths at DTU here.  

Further information
Further information may be obtained from Professor Georgios M. Kontogeorgis, and associate professor Xiaodong Liang,

You can read more about the Department of Chemical and Biochemical Engineering of DTU at

Application procedure 
Please submit your online application no later than 31 December 2020 (local time)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 (see guidelines and excel spreadsheet here)

Candidates may apply prior to obtaining their master's degree but cannot begin before having received it.

Applications and enclosures received after the deadline will not be considered. 

All interested candidates irrespective of age, gender, race, disability, religion or ethnic background are encouraged to apply. 

The Department of Chemical and Biochemical Engineering at DTU is a leader in innovative teaching and research, built on core technical subjects and engineering scientific disciplines. The teaching and research covers separation processes, reaction engineering, dynamics and process regulation, process and facility planning, unit operations, heat transmission, fluid mechanics and applied thermodynamics. The Department enjoys very close relations with international partners, and especially a wide range of industrial companies.   

Technology for people
DTU develops technology for people. With our international elite research and study programmes, we are helping to create a better world and to solve the global challenges formulated in the UN’s 17 Sustainable Development Goals. Hans Christian Ørsted founded DTU in 1829 with a clear vision to develop and create value using science and engineering to benefit society. That vision lives on today. DTU has 12,000 students and 6,000 employees. We work in an international atmosphere and have an inclusive, evolving, and informal working environment. Our main campus is in Kgs. Lyngby north of Copenhagen and we have campuses in Roskilde and Ballerup and in Sisimiut in Greenland.