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20022020
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Personal profile

Personal Statement

Miguel Jorge was born in Ovar, Portugal. In 1998 he completed his Degree in Chemical Engineering at the University of Porto, followed by a PhD in Chemical Engineering at the University of Edinburgh in 2003. He has since held full time researcher positions at the University of Massachusetts (USA) and at the University of Porto (Faculty of Sciences and Faculty of Engineering). He is a Lecturer at the University of Strathclyde since January 2013.

Miguel’s research applies molecular modelling techniques, such as Monte Carlo and Molecular Dynamics, to understand systems that are important in chemical engineering applications, with the long-term goal of turning molecular simulation into a widely used industrial tool. His research spans areas as diverse as adsorption, material synthesis and characterisation, thermodynamics and phase equilibrium, physics of interfaces and nanotechnology. He has published over 50 articles in international scientific journals and delivered over 20 invited seminars and conference presentations. He is also strongly interested in research policy, having been a founding member and former President of the Portuguese National Association of Science and Technology Researchers (ANICT). He is currently one of the Directors of the International Consortium of Research Staff Associations (ICoRSA) and is involved in the Voice of Researchers (VoR) initiative.

Research Interests

Understanding phenomena at the molecular level is progressively gaining importance in Chemical Engineering, not only at the fundamental level, but also in the context of property predictions and material/process design. Our research group applies molecular modelling techniques, such as Monte Carlo and Molecular Dynamics, to understand systems that are important in chemical engineering applications, with the long-term goal of turning molecular simulation into a widely used industrial tool.

Specific topics under study include:

i) computational design of new nanoporous materials for adsorptive separations, using a multiscale approach from the quantum to the mesoscale level, and based on detailed knowledge of the relationships between synthesis conditions, material properties and performance;

ii) developing new models for adsorption in nanoporous materials, including crystalline materials (e.g., zeolites), amorphous materials (e.g., activated carbons) and hybrid organic-inorganic materials (e.g., metal-organic frameworks or mesoporous organosilicas);

iii) understanding how molecules self-assemble in solution to yield supra-molecular aggregates like micelles and liquid crystals;

iv) gaining an in-depth understanding of interfaces between two fluids (gas-liquid or liquid-liquid), with particular application to ionic liquids;

v) developing new methods and molecular models for calculating the solubility of complex molecules, including pharmaceuticals and pollutants.

Teaching Interests

I currently teach the following courses in the Chemical Engineering BEng/MEng:

- Thermodynamics (second year)

- Molecular Simulation in Chemical Engineering (fifth year)

- Chemical Engineering Design (fourth year)

- Chemical Engineering Project (fifth year)

I have received the following awards for my teaching activities:

- Winner of Best Teacher in Faculty – Engineering, Strathclyde Teaching Excellence Awards, 2015.

- Nominated for Teaching Excellence Award at the University of Strathclyde (“Most Enthusiastic” and “Most Supportive” categories), 2014.

- Nominated for Teaching Excellence Award at the University of Strathclyde (“Most Enthusiastic” and “Most Supportive” categories), 2013.

Industrial Relevance

Molecular simulation methods are playing an increasing role in industrial applications, partly due to massive advances in computer power, but also to methodological developments. Molecular simulation methods are now becoming competitive with more traditional macroscopic approaches (e.g., equations of state or quantitative structure-property relationships) in prediction of fluid properties. My research aims to increase the suitability of molecular simulation as a tool with industrial relevance, particularly in the areas of solubility prediction, adsorption prediction, design of new solvents, and design of new porous materials.

Expertise & Capabilities

- Molecular Simulation

- Thermodynamics

- Statistical Mechanics

- Interfacial processes

- Adsorption

- Porous Materials

- Computational Modelling

Education/Academic qualification

Doctor of Philosophy, University of Edinburgh

Master of Engineering, Universidade do Porto

Fingerprint Fingerprint is based on mining the text of the person's scientific documents to create an index of weighted terms, which defines the key subjects of each individual researcher.

  • 2 Similar Profiles
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Adsorption Chemical Compounds
Molecular dynamics Chemical Compounds
Silicon Dioxide Chemical Compounds
Molecules Chemical Compounds
Solvation Chemical Compounds
simulation Physics & Astronomy
Silica Engineering & Materials Science

Network Recent external collaboration on country level. Dive into details by clicking on the dots.

Selected Projects 2005 2020

Silicon Dioxide
Controlled drug delivery
Zeolites
Liquid Crystals
Materials science

Screening Metal-Organic Frameworks for Natural Gas Upgrading Using Molecular Simulation

Jorge, M. & Campbell, C.

1/10/1431/03/18

Project: Research - StudentshipResearch Studentship

Rational Design of Nanoporous Silica Materials Through Advanced Monte Carlo Modelling

Jorge, M. & Milne, A.

1/10/1531/03/19

Project: Research - StudentshipResearch Studentship

Selected Research Output 2002 2019

26 Citations

Understanding gas adsorption selectivity in IRMOF‐8 using molecular simulation

Pillai, R. S., Pinto, M. L., Pires, J., Jorge, M. & Gomes, J. R. B., 14 Jan 2015, In : ACS Applied Materials and Interfaces. 7, 1, p. 624-637 15 p.

Research output: Contribution to journalArticle

Open Access
File
Gas adsorption
Ethane
Ethylene
Methane
Adsorption
34 Citations

Computational approaches to study adsorption in MOFs with unsaturated metal sites

Fischer, M., Gomes, J. R. B. & Jorge, M., 2014, In : Molecular Simulation. 40, 7-9, p. 537-556 20 p.

Research output: Contribution to journalArticle

Open Access
File
Adsorption
Metals
Force Field
field theory (physics)
adsorption
70 Citations

Modeling spontaneous formation of precursor nanoparticles in clear-solution zeolite synthesis

Jorge, M., Auerbach, S. M. & Monson, P. A., 19 Oct 2005, In : Journal of the American Chemical Society. 127, 41, p. 14388-14400 13 p.

Research output: Contribution to journalArticle

Open Access
File
Zeolites
Nanoparticles
Silicon Dioxide
Silica
Static Electricity
29 Citations

Molecular simulation of silica/surfactant self-assembly in the synthesis of periodic mesoporous silicas

Jorge, M., Gomes, J. R. B., D. S. Cordeiro, M. N. & Seaton, N. A., 19 Dec 2007, In : Journal of the American Chemical Society. 129, 50, p. 15414-15415 2 p.

Research output: Contribution to journalArticle

Open Access
File
Surface-Active Agents
Silicon Dioxide
Self assembly
Surface active agents
Silica
24 Citations

Prediction of the n-hexane/water and 1-octanol/water partition coefficients for environmentally relevant compounds using molecular simulation

Garrido, N. M., Economou, I. G., Queimada, A. J., Jorge, M. & Macedo, E. A., Jun 2012, In : AIChE Journal. 58, 6, p. 1929-1938 10 p.

Research output: Contribution to journalArticle

1-Octanol
Hexane
Chlorobenzenes
Water
Polychlorinated Biphenyls
36 Citations

What does an ionic liquid surface really look like? Unprecedented details from molecular simulations

Hantal, G., Cordeiro, M. N. D. S. & Jorge, M., 2011, In : Physical Chemistry Chemical Physics. 13, 48, p. 21230-21232 3 p.

Research output: Contribution to journalArticle

Open Access
File
Ionic Liquids
Molecular orientation
liquid surfaces
room temperature
liquids
66 Citations

Molecular dynamics simulation of self-assembly of n-Decyltrimethylammonium Bromide micelles

Jorge, M., 3 Jun 2008, In : Langmuir. 24, 11, p. 5714-5725 12 p.

Research output: Contribution to journalArticle

Open Access
File
Micelles
Self assembly
Molecular dynamics
self assembly
bromides
128 Citations

Simulation study of the effect of the chemical heterogeneity of activated carbon on water adsorption

Jorge, M., Schumacher, C. & Seaton, N. A., 26 Nov 2002, In : Langmuir. 18, 24, p. 9296-9306 11 p.

Research output: Contribution to journalArticle

File
activated carbon
Activated carbon
Adsorption
adsorption
Water
137 Citations

Adsorption of propane, propylene and isobutane on a metal–organic framework: molecular simulation and experiment

Lamia, N., Jorge, M., Granato, M. A., Almeida Paz, F. A., Chevreau, H. & Rodrigues, A. E., 15 Jul 2009, In : Chemical Engineering Science . 64, 14, p. 3246-3259 14 p.

Research output: Contribution to journalArticle

File
Butanes
Molecular Simulation
Propane
Adsorption
Propylene
16 Citations

Modeling self-assembly of silica/surfactant mesostructures in the templated synthesis of nanoporous solids

Pérez-Sánchez, G., Gomes, J. R. B. & Jorge, M., 19 Feb 2013, In : Langmuir. 29, 7, p. 2387–2396 10 p.

Research output: Contribution to journalArticle

Open Access
File
Micelles
Surface-Active Agents
Silicon Dioxide
Self assembly
self assembly
45 Citations

Modeling adsorption in metal-organic frameworks with open metal sites: propane/propylene separations

Fischer, M., Gomes, J. R. B., Froba, M. & Jorge, M., 5 Jun 2012, In : Langmuir. 28, 22, p. 8537-8549 13 p.

Research output: Contribution to journalArticle

Open Access
File
Propane
propylene
propane
Propylene
Metals
65 Citations

A critical assessment of methods for the intrinsic analysis of liquid interfaces. 1. surface site distributions

Jorge, M., Jedlovszky, P. & Cordeiro, M. N. D. S., 1 Jul 2010, In : Journal of Physical Chemistry C. 114, 25, p. 11169-11179 11 p.

Research output: Contribution to journalArticle

Open Access
File
Liquids
liquids
Carbon tetrachloride
Molecules
Fluids
70 Citations

1-Octanol/water partition coefficients of n-alkanes from molecular simulations of absolute solvation free energies

Garrido, N. M., Queimada, A. J., Jorge, M., Macedo, E. A. & Economou, I. G., Sep 2009, In : Journal of Chemical Theory and Computation . 5, 9, p. 2436-2446 11 p.

Research output: Contribution to journalArticle

File
1-Octanol
Alkanes
Solvation
Gibbs free energy
Paraffins

Thesis

A modelling study in harnessing metal-organic frameworks for challenging gas separations

Author: Campbell, C., 1 Apr 2018

Supervisor: Fletcher, A. (Supervisor) & Jorge, M. (Supervisor)

Student thesis: Doctoral Thesis

Computational modelling and design of bioinspired silica materials

Author: Centi, A., 1 Oct 2016

Supervisor: Jorge, M. (Supervisor) & Sefcik, J. (Supervisor)

Student thesis: Doctoral Thesis

Prizes

FEUP Scientific incentive prize

Miguel Jorge (Recipient), 2012

Prize: Prize (including medals and awards)

incentive
engineering

FEUP Scientific incentive prize

Miguel Jorge (Recipient), 2011

Prize: Prize (including medals and awards)

incentive
engineering

Selected Activities 2002 2018

Molecular Simulation (Journal)

Miguel Jorge (Editorial board member)
2015 → …

Activity: Publication peer-review and editorial work typesEditorial board member

European/Japanese Molecular Liquids Group Annual Meeting

Miguel Jorge (Keynote/plenary speaker)
Sep 2012

Activity: Participating in or organising an event typesKey-note speaker and plenary lectures at conferences

CHEMPOR – 12th International Chemical and Biological Engineering Conference

Miguel Jorge (Keynote/plenary speaker)
10 Sep 2014

Activity: Participating in or organising an event typesKey-note speaker and plenary lectures at conferences

International Consortium or Research Staff Associations (External organisation)

Miguel Jorge (Member)
1 Oct 2012 → …

Activity: Membership typesMembership of committee

Voice of Researchers (External organisation)

Miguel Jorge (Member)
23 Apr 2012 → …

Activity: Membership typesMembership of committee

1st Workshop on Computational Approaches to Materials Design

Miguel Jorge (Keynote/plenary speaker)
Jun 2015

Activity: Participating in or organising an event typesKey-note speaker and plenary lectures at conferences

European Commission (External organisation)

Miguel Jorge (Member)
15 May 2014Dec 2015

Activity: Membership typesMembership of committee

Lithuanian Academy of Sciences (External organisation)

Miguel Jorge (Advisor)
May 201316 Nov 2013

Activity: Membership typesMembership of committee

CECAM workshop on Surfactant Templated Porous Materials: Synthesis and Characterisation

Miguel Jorge (Organiser)
Sep 2008

Activity: Participating in or organising an event typesOrganiser of special symposia