TY - JOUR
T1 - Development through computational design of a new terpolymer with anti-scale properties applied to the oil production assurance process
AU - Cisneros-Dévora, R.
AU - Hernández-Altamirano, R.
AU - Martínez-Magadán, J. M.
AU - Oviedo-Roa, R.
AU - Soto-Castruita, E.
AU - Cerón-Camacho, R.
AU - Zamudio-Rivera, L. S.
AU - Pons-Jiménez, M.
N1 - Publisher Copyright:
© 2020 Elsevier Ltd
PY - 2020/12/15
Y1 - 2020/12/15
N2 - Theoretically, were designed and optimized by Density Functional Theory (DFT), the itaconic acid (IA), sodium vinyl sulphonate (VS) and aconitic acid (AA) singles molecules. Also, its corresponding interactions as pairs IA-VS, IA-AA and VS-AA for a better comprehension of constituents in the molecular design of the new terpolymer (labeled as PIAVSAA). Besides, the mineral scales calcium carbonate (CaCO3) and calcium sulfate (CaSO4) also were designed by computational chemistry. Attributable to the energy values obtained, PIAVSAA terpolymer promise an efficient capture of calcium ions of the scale phase better than commercial chemicals derived from acrylic acid. Experimentally, and to evaluate the anti-scale activity, were carried tests that demonstrate the capability of the new PIAVSAA to control inorganic scales problems that may become an impediment to production and avoid the plugging of the production tubing, assuring oil production.
AB - Theoretically, were designed and optimized by Density Functional Theory (DFT), the itaconic acid (IA), sodium vinyl sulphonate (VS) and aconitic acid (AA) singles molecules. Also, its corresponding interactions as pairs IA-VS, IA-AA and VS-AA for a better comprehension of constituents in the molecular design of the new terpolymer (labeled as PIAVSAA). Besides, the mineral scales calcium carbonate (CaCO3) and calcium sulfate (CaSO4) also were designed by computational chemistry. Attributable to the energy values obtained, PIAVSAA terpolymer promise an efficient capture of calcium ions of the scale phase better than commercial chemicals derived from acrylic acid. Experimentally, and to evaluate the anti-scale activity, were carried tests that demonstrate the capability of the new PIAVSAA to control inorganic scales problems that may become an impediment to production and avoid the plugging of the production tubing, assuring oil production.
KW - Anti-scale properties
KW - Computational chemistry
KW - Production assurance process
KW - Terpolymer
UR - http://www.scopus.com/inward/record.url?scp=85089003503&partnerID=8YFLogxK
U2 - 10.1016/j.fuel.2020.118832
DO - 10.1016/j.fuel.2020.118832
M3 - Artículo
AN - SCOPUS:85089003503
SN - 0016-2361
VL - 282
JO - Fuel
JF - Fuel
M1 - 118832
ER -