RT Journal Article T1 An atomic force microscopy and molecular simulationsstudy of the inhibition of barite growth by phosphonates A1 Pina Martínez, Carlos Manuel A1 Putnis, Cristine Veta A1 Becker, Udo A1 Biswas, Subir A1 Carrol, E.C. A1 Bosbach, Dirk A1 Putnis, Andrew AB The effect of five phosphonic acids (hydroxyethylene diphosphonic acid, HEDP; nitro trimethyl phosphonic acid,NTMP; methylene diphosphonic acid, MDP; amino methylene phosphonic acid, AMP; and sodium phosphonobutanetricarboxylic acid, PBTC) on the growth of the barite(0 0 1) face has been investigated using atomic force microscopy(AFM). Experimental data have been obtained by in situ measurements of the velocities of barite monomolecular stepsgrowing from solutions with different concentrations of each phosphonic acid. Adsorption isotherms, constructed byplotting individual monomolecular step rates versus inhibitor concentrations, indicate a Langmuir adsorption mechanismin the range of concentrations from 0.5 to 10 lmol/l. Both affinity constants calculated from adsorption isothermsand measurements of growth rates of barite monomolecular steps as a function of inhibitor concentrationallowed us to give the following ranking of inhibitor effectiveness: PBTC>NTMP>MDP>HEDPAMP. Molecularsimulations of the interaction of the phosphonic acids with barite(0 0 1) surfaces indicate that only kink sites alongmonomolecular steps can be considered as possible inhibition sites. This is in agreement with the AFM observationsand measurements. PB Elsevier SN 0039-6028 YR 2004 FD 2004 LK https://hdl.handle.net/20.500.14352/49774 UL https://hdl.handle.net/20.500.14352/49774 LA eng DS Docta Complutense RD 18 abr 2025