PN-III-P4-ID-PCE-2016-0629




Solventi prietenosi cu mediul pentru captarea dioxidului de carbon:
studiu experimental si modelare cu metode computationale moderne






OBIECTIVE

Obiectivele generale ale acestui proiect sunt determinarea de date experimentale de calitate ?i realizarea de modele teoretice pentru sisteme care conţin dioxid de carbon + hidrocarburi, + alcooli, + esteri, +eteri, precum ?i compararea acestora cu sisteme dioxid de carbon + lichide ionice la presiuni ridicate pentru selectarea celui mai bun/celor mai buni candidaţi pentru captarea dioxidului de carbon.


Se are in vedere:




(1) Studiul efectului grupului funcţional asupra abilităţii diferiţilor solvenţi de a dizolva dioxid de carbon la presiuni ridicate.




(2) Elucidarea tipurilor de comportamente de faze, având ?n vedere că până ?n prezent există dovezi experimentale numai ?n sisteme binare dioxid de carbon + n-alcani, respectiv dioxid de carbon + mono-alcooli (lineari).




(3) Realizarea unei proceduri pentru selectarea celor mai buni solvenţi pentru captarea dioxidului de carbon, inclusiv cu lichide ionice.




(4) Propunerea de modele predictive care să poată fi aplicate pe un domeniu larg de compoziţii, temperaturi ?i presiuni.

ECHIPA:



Director de proiect

Prof. univ. dr. habil. ing. Catinca Secuianu

Cercetator cu experienta

Prof. univ. dr. ing. Viorel Feroiu


Cercetator cu experienta

Prof. univ. dr. ing. Luisa Pilan

Cercetator cu experienta

Conf. dr. chim. Oana Istrate (Ciocirlan)

Cercetator cu experienta

Conf. dr. ing. Cristian Dinca


Cercetator cu experienta

S.l. dr. ing. Adrian Crisciu

Cercetator postdoctoral

S.l. dr. ing. Sergiu Sima

Cercetator postdoctoral

As. dr. ing. Radu Racovita


Cercetator doctorand

Drd. ing. Mihaela Ionita (Mihai)

Cercetator masterand

Ing. Andreea Varzaru

Cercetator masterand

Ing. Andrei Ichim


REZULTATE


1. ARTICOLE

1. Sima, S., Secuianu, C., Feroiu, V.,
Phase equilibria of CO2 + 1,2-dimethoxyethane at high-pressures,
Fluid Phase Equilib. 458, 47-57 (2018), Accession Number: WOS:000423003900006, DOI: 10.1016/j.fluid.2017.11.008

2. Sima, S.; Racovita, R.C.; Dinca, C.; Feroiu, V.; Secuianu, C.,
Phase equilibria calculations for carbon dioxide + 2-propanol system,
UPB Sci. Bull. Series B-Chem. Mat. Sci. 79 (4), 11-24 (2017), Accession Number: WOS: 000424134600002.

3. Racovita, R.C.; Sima, S.; Secuianu, C.; Feroiu, V., ,
Phase behavior predictions for carbon dioxide + isopropanol binary system with a cubic equation of state,
Bull. Rom. Chem. Eng. Soc. 2, 1-12 (2017).

4. Sima, S.; Ionita, S.; Secuianu, C.; Feroiu, V.; Geana, D.,
High-Pressures Phase Equilibria of Carbon Dioxide + 1-Octanol Binary System,
J. Chem. Eng. Data, 63 (4), 1109–1122 (2018), DOI: 10.1021/acs.jced.7b00865

5. Sergiu Sima, Radu C. Racovita, Aurel Chirila, Dragos Deaconu, Viorel Feroiu, Catinca Secuianu,
Phase behaviour calculations for the carbon dioxide + 1,2-dimethoxyethane binary system with a cubic equation of state,
STUDIA UNIVERSITATIS BABES-BOLYAI CHEMIA 64 (3), 129-142 (2019), DOI: 10.24193/subbchem.2019.3.11, WOS:000489744800012.

6. Ciocirlan (Istrate), Oana; Stefaniu, Amalia,
Electrical conductivities and interactions in binary mixtures of imidazolium-based ionic liquids with acetonitrile and dimethyl sulfoxide,
Revista de Chimie 71 (2), 392-403, 2020, https://doi.org/10.37358/RC.20.2.7942.

7. Sima, S.; Secuianu, C.; Feroiu, V.; Ionita, S.; Geana, D.,
High-pressure phase equilibria of carbon dioxide + 2-octanol binary system,
Fluid Phase Equilib. 510, article number 112487 (2020), DOI: 10.1016/j.fluid.2020.112487, WOS: 000517657400007.

8. Dan Vladimir Nichita*, Catinca Secuianu*,
An Improved Reduction Method for Phase Stability Testing in the Single-Phase Region,
Open Chem. 18(1), 1316-1322, 2020.

9. Mihaela Ionita, Adrian Victor Crisciu, Radu Ciprian Racovita, Sergiu Sima, Catinca Secuianu*,
Phase diagram predictions for CO2 + different classes of organic substances at high-pressures,
University Politehnica of Bucharest Scientific Bulletin Series B-Chemistry and Materials Science, 83 (2), 117-132, 2021.

10. Sergiu Sima, S., Catinca Secuianu*,
The effect of functional groups on the phase behavior of carbon dioxide binaries and their role in CCS,
Molecules, 26 (12), 3733, 1-14, 2021.

11. Mihaela Ionita, Sergiu Sima, Martin Cismondi, Catinca Secuianu*,
Phase equilibria for the carbon dioxide + cyclopentane + cyclohexane system at high pressures,
accepted to Rev. Roum. Chim., 2021.

12. Sergiu Sima, Martin Cismondi, Catinca Secuianu*,
High-pressure phase equilibrium for carbon dioxide + ethyl n-butyrate binary system,
accepted, J. Chem Eng. Data, 2021, https://doi.org/10.1021/acs.jced.1c00319

13. Sergiu Sima, S., Catinca Secuianu*, Dan Vladimir Nichita,
High-pressure phase equilibria of carbon dioxide + 1,4-dioxane binary system,
under review, Fluid Phase Equilib., 2021.

Previous Next


2. CAPITOLE DE CARTI

1. Luisa Pilan, Matei Raicopol,
Electrochemical DNA biosensors based on carbon nanomaterials,
Carbon Related Materials - Commemoration for Nobel Laureate Professor Suzuki Special Symposium at IUMRS-ICAM2017, Springer, (accepted 2019: https://www.springer.com/gp/book/9783319616506)

2. Andreea Camelia Varzaru,
High-pressure phase equilibria in systems containing CO2,
Dissertation thesis, University POLITEHNICA of Bucharest, June 2019

3. Catinca Secuianu*, Sergiu Sima,
Phase Equilibria for Carbon Capture & Storage in Carbon Capture, S.A. R. Khan (Editor),
Ed. IntechOpen Ltd, 2020, ISBN 978-1-78985-853-2.

Previous Next


3. CONFERINTE

1. Sergiu Sima, Adrian Cri?ciu, Oana Cioc?rlan, Cristian Dincă, Catinca Secuianu, Viorel Feroiu,
Phase Behaviour for Binary Systems Containing CO2 at High Pressures of Interest for Carbon Capture and Storage,
20th Romanian International Conference on Chemistry and Chemical Engineering – RICCCE 20,
September 6-9, 2017, Poiana Brasov, Romania, poster.

2. Virgil Popescu-Sărule?teanu, Sergiu Sima, George Rizea, Catinca Secuianu,
Phase Behaviour for Binary Systems of CO2 + Naphthenes at High Pressures,
20th Romanian International Conference on Chemistry and Chemical Engineering – RICCCE 20,
September 6-9, 2017, Poiana Brasov, Romania, poster.

3. S. Sima, R. Racovita, C. Secuianu, V. Feroiu,
High-pressure phase equilibrium in the carbon dioxide + 1,4-dioxane system,
30th ESAT 2018 - European Symposium on Applied Thermodynamics,
June 10-13, 2018, Prague, Czech Republic, poster.

4. Sergiu Sima, Radu Ciprian Racovita, Cristian Dincă, Viorel Feroiu, Catinca Secuianu,
Alternative Green Solvents for CO2 Capture: Experiments and Modeling,
Keynote presented at 21st Romanian International Conference on Chemistry and Chemical Engineering – RICCCE 21, Mamaia-Constanţa, Romania, 4-7 September, 2019: http://riccce21.chimie.upb.ro/program/keynote-lectures/

5. Sergiu Sima, Andreea C. Varzaru, Radu C. Racovita, Viorel Feroiu, Catinca Secuianu,
Phase equilibria in systems of CO2 and esters,
21st Romanian International Conference on Chemistry and Chemical Engineering – RICCCE 21, Mamaia-Constanţa, Romania, 4-7 September, 2019 (oral communication): http://riccce21.chimie.upb.ro/program/full-program/

6. Sergiu Sima, Mihaela Ionita, Radu C. Racovita, Viorel Feroiu, Catinca Secuianu,
Phase equilibria and densities of carbon dioxide + 1-hexanol,
21st Romanian International Conference on Chemistry and Chemical Engineering – RICCCE 21, Mamaia-Constanţa, Romania, 4-7 September, 2019 (oral communication): http://riccce21.chimie.upb.ro/program/full-program/

7. Radu Ciprian Racovita, Adrian Victor Crisciu, Maria Daniela Ciuca, Ionut Alexandru Popa, Andreea Camelia Varzaru, Sergiu Sima, Catinca Secuianu,
Experimental studies of several type 1 liquid-liquid ternary systems,
21st Romanian International Conference on Chemistry and Chemical Engineering – RICCCE 21, Mamaia-Constanţa, Romania, 4-7 September, 2019 (oral communication): http://riccce21.chimie.upb.ro/program/full-program/

8. Catinca Secuianu,
Alternative green solvents for CO2 capture: experimental study and modelling with advanced equations of state,
PE colloquium, TU Delft, Delft, The Netherlands, May 17, 2019 (invited talk): https://www.tudelft.nl/en/events/2019/43682/april/pe-colloquium-by-catinca-secuianu-may-17/

9. Mihaela Ionita, Sergiu Sima, Catinca Secuianu,
Phase equilibria of CO2 + organic compounds and their potential role in CCS”, 5th International Conference on Chemical Engineering. Innovative Materials and Processes for a Sustainable Development – ICCE 2020,
Gheorghe Asachi” Technical University of Iasi, Iasi, Romania, October 28-30, 2020 (virtual conference)

10. Sergiu Sima, Mihaela Ionita, Catinca Secuianu,
Phase Equilibria of carbon dioxide + 2,4-dimethylpentane,
ESAT 2021 – 31st European Symposium on Applied Thermodynamics France -100% Virtual - 5-9 July 2021, poster, www.esat2021.com.

11. Sergiu Sima, Mihaela Ionita, Catinca Secuianu,
Phase equilibria in systems of interest for CCS,
ESAT 2021 – 31st European Symposium on Applied Thermodynamics France -100% Virtual - 5-9 July 2021, poster, esat2021.com.

Previous Next

CONTACT







Universitatea Politehnica din Bucuresti

Facultatea de Chimie Aplicata si Stiinta Materialelor

Departamentul de Chimie Anorganica, Chimie Fizica si Electrochimie

Laboratorul de Termodinamica si Proprietati Termofizice

Str. Gh. Polizu, Nr. 1-7, Corp E, Et. 3, 011061, Sector 1, Bucuresti, Romania

+4021 4023988

office.altgreensolv@gmail.com