id sid tid token lemma pos 3n203x83234 1 1 permanent permanent ADJ 3n203x83234 1 2 disposal disposal NOUN 3n203x83234 1 3 of of ADP 3n203x83234 1 4 high high ADJ 3n203x83234 1 5 - - PUNCT 3n203x83234 1 6 level level NOUN 3n203x83234 1 7 nuclear nuclear ADJ 3n203x83234 1 8 waste waste NOUN 3n203x83234 1 9 requires require VERB 3n203x83234 1 10 efficient efficient ADJ 3n203x83234 1 11 separation separation NOUN 3n203x83234 1 12 of of ADP 3n203x83234 1 13 trace trace NOUN 3n203x83234 1 14 amounts amount NOUN 3n203x83234 1 15 of of ADP 3n203x83234 1 16 various various ADJ 3n203x83234 1 17 radioactive radioactive ADJ 3n203x83234 1 18 elements element NOUN 3n203x83234 1 19 from from ADP 3n203x83234 1 20 alkaline alkaline NOUN 3n203x83234 1 21 waste waste NOUN 3n203x83234 1 22 solutions solution NOUN 3n203x83234 1 23 in in ADP 3n203x83234 1 24 order order NOUN 3n203x83234 1 25 to to PART 3n203x83234 1 26 minimize minimize VERB 3n203x83234 1 27 the the DET 3n203x83234 1 28 final final ADJ 3n203x83234 1 29 disposal disposal NOUN 3n203x83234 1 30 volume volume NOUN 3n203x83234 1 31 required require VERB 3n203x83234 1 32 for for ADP 3n203x83234 1 33 vitrification vitrification NOUN 3n203x83234 1 34 . . PUNCT 3n203x83234 2 1 development development NOUN 3n203x83234 2 2 of of ADP 3n203x83234 2 3 highly highly ADV 3n203x83234 2 4 selective selective ADJ 3n203x83234 2 5 ion ion NOUN 3n203x83234 2 6 exchangers exchanger NOUN 3n203x83234 2 7 with with ADP 3n203x83234 2 8 increased increase VERB 3n203x83234 2 9 capacity capacity NOUN 3n203x83234 2 10 and and CCONJ 3n203x83234 2 11 kinetics kinetic NOUN 3n203x83234 2 12 is be AUX 3n203x83234 2 13 desired desire VERB 3n203x83234 2 14 for for ADP 3n203x83234 2 15 a a DET 3n203x83234 2 16 more more ADJ 3n203x83234 2 17 cost cost NOUN 3n203x83234 2 18 - - PUNCT 3n203x83234 2 19 effective effective ADJ 3n203x83234 2 20 separation separation NOUN 3n203x83234 2 21 process process NOUN 3n203x83234 2 22 . . PUNCT 3n203x83234 3 1 in in ADP 3n203x83234 3 2 collaboration collaboration NOUN 3n203x83234 3 3 with with ADP 3n203x83234 3 4 researchers researcher NOUN 3n203x83234 3 5 at at ADP 3n203x83234 3 6 savannah savannah PROPN 3n203x83234 3 7 river river PROPN 3n203x83234 3 8 national national PROPN 3n203x83234 3 9 laboratories laboratory NOUN 3n203x83234 3 10 , , PUNCT 3n203x83234 3 11 sandia sandia PROPN 3n203x83234 3 12 national national ADJ 3n203x83234 3 13 laboratories laboratory NOUN 3n203x83234 3 14 , , PUNCT 3n203x83234 3 15 and and CCONJ 3n203x83234 3 16 texas texas PROPN 3n203x83234 3 17 a&m a&m PROPN 3n203x83234 3 18 university university PROPN 3n203x83234 3 19 , , PUNCT 3n203x83234 3 20 various various ADJ 3n203x83234 3 21 classes class NOUN 3n203x83234 3 22 of of ADP 3n203x83234 3 23 high high ADJ 3n203x83234 3 24 - - PUNCT 3n203x83234 3 25 capacity capacity NOUN 3n203x83234 3 26 ion ion NOUN 3n203x83234 3 27 exchangers exchanger NOUN 3n203x83234 3 28 , , PUNCT 3n203x83234 3 29 such such ADJ 3n203x83234 3 30 as as ADP 3n203x83234 3 31 crystalline crystalline ADJ 3n203x83234 3 32 titanosilicates titanosilicate NOUN 3n203x83234 3 33 ( ( PUNCT 3n203x83234 3 34 cst cst PROPN 3n203x83234 3 35 ) ) PUNCT 3n203x83234 3 36 , , PUNCT 3n203x83234 3 37 pharmacosiderates pharmacosiderate NOUN 3n203x83234 3 38 , , PUNCT 3n203x83234 3 39 and and CCONJ 3n203x83234 3 40 polyoxoniobates polyoxoniobate NOUN 3n203x83234 3 41 are be AUX 3n203x83234 3 42 under under ADP 3n203x83234 3 43 investigation investigation NOUN 3n203x83234 3 44 to to PART 3n203x83234 3 45 enhance enhance VERB 3n203x83234 3 46 their their PRON 3n203x83234 3 47 ion ion NOUN 3n203x83234 3 48 exchange exchange NOUN 3n203x83234 3 49 performance performance NOUN 3n203x83234 3 50 . . PUNCT 3n203x83234 4 1 molecular molecular ADJ 3n203x83234 4 2 simulations simulation NOUN 3n203x83234 4 3 have have VERB 3n203x83234 4 4 the the DET 3n203x83234 4 5 potential potential NOUN 3n203x83234 4 6 to to PART 3n203x83234 4 7 be be AUX 3n203x83234 4 8 a a DET 3n203x83234 4 9 valuable valuable ADJ 3n203x83234 4 10 design design NOUN 3n203x83234 4 11 tool tool NOUN 3n203x83234 4 12 in in ADP 3n203x83234 4 13 guiding guide VERB 3n203x83234 4 14 future future ADJ 3n203x83234 4 15 synthesis synthesis NOUN 3n203x83234 4 16 efforts effort NOUN 3n203x83234 4 17 . . PUNCT 3n203x83234 5 1 the the DET 3n203x83234 5 2 accuracy accuracy NOUN 3n203x83234 5 3 of of ADP 3n203x83234 5 4 molecular molecular ADJ 3n203x83234 5 5 simulations simulation NOUN 3n203x83234 5 6 is be AUX 3n203x83234 5 7 critically critically ADV 3n203x83234 5 8 dependent dependent ADJ 3n203x83234 5 9 upon upon SCONJ 3n203x83234 5 10 the the DET 3n203x83234 5 11 quality quality NOUN 3n203x83234 5 12 of of ADP 3n203x83234 5 13 the the DET 3n203x83234 5 14 intermolecular intermolecular ADJ 3n203x83234 5 15 force force NOUN 3n203x83234 5 16 field field NOUN 3n203x83234 5 17 used use VERB 3n203x83234 5 18 to to PART 3n203x83234 5 19 describe describe VERB 3n203x83234 5 20 the the DET 3n203x83234 5 21 interactions interaction NOUN 3n203x83234 5 22 . . PUNCT 3n203x83234 6 1 due due ADP 3n203x83234 6 2 to to ADP 3n203x83234 6 3 the the DET 3n203x83234 6 4 large large ADJ 3n203x83234 6 5 number number NOUN 3n203x83234 6 6 of of ADP 3n203x83234 6 7 experimental experimental ADJ 3n203x83234 6 8 x x NOUN 3n203x83234 6 9 - - NOUN 3n203x83234 6 10 ray ray NOUN 3n203x83234 6 11 diffraction diffraction NOUN 3n203x83234 6 12 studies study NOUN 3n203x83234 6 13 that that PRON 3n203x83234 6 14 have have AUX 3n203x83234 6 15 characterized characterize VERB 3n203x83234 6 16 both both DET 3n203x83234 6 17 materials material NOUN 3n203x83234 6 18 , , PUNCT 3n203x83234 6 19 a a DET 3n203x83234 6 20 semi semi ADJ 3n203x83234 6 21 - - ADJ 3n203x83234 6 22 empirical empirical ADJ 3n203x83234 6 23 intermolecular intermolecular ADJ 3n203x83234 6 24 force force NOUN 3n203x83234 6 25 field field NOUN 3n203x83234 6 26 potential potential ADJ 3n203x83234 6 27 model model NOUN 3n203x83234 6 28 is be AUX 3n203x83234 6 29 developed develop VERB 3n203x83234 6 30 for for ADP 3n203x83234 6 31 crystalline crystalline ADJ 3n203x83234 6 32 titanosilicates titanosilicate NOUN 3n203x83234 6 33 and and CCONJ 3n203x83234 6 34 polyoxoniobates polyoxoniobate NOUN 3n203x83234 6 35 materials material NOUN 3n203x83234 6 36 . . PUNCT 3n203x83234 7 1 in in ADP 3n203x83234 7 2 addition addition NOUN 3n203x83234 7 3 , , PUNCT 3n203x83234 7 4 ab ab PROPN 3n203x83234 7 5 initio initio NOUN 3n203x83234 7 6 methods method NOUN 3n203x83234 7 7 , , PUNCT 3n203x83234 7 8 such such ADJ 3n203x83234 7 9 as as ADP 3n203x83234 7 10 density density NOUN 3n203x83234 7 11 functional functional ADJ 3n203x83234 7 12 theory theory NOUN 3n203x83234 7 13 ( ( PUNCT 3n203x83234 7 14 dft dft NOUN 3n203x83234 7 15 ) ) PUNCT 3n203x83234 7 16 simulations simulation NOUN 3n203x83234 7 17 , , PUNCT 3n203x83234 7 18 are be AUX 3n203x83234 7 19 investigated investigate VERB 3n203x83234 7 20 to to PART 3n203x83234 7 21 provide provide VERB 3n203x83234 7 22 additional additional ADJ 3n203x83234 7 23 insight insight NOUN 3n203x83234 7 24 into into ADP 3n203x83234 7 25 the the DET 3n203x83234 7 26 electronic electronic ADJ 3n203x83234 7 27 structure structure NOUN 3n203x83234 7 28 of of ADP 3n203x83234 7 29 these these DET 3n203x83234 7 30 materials material NOUN 3n203x83234 7 31 and and CCONJ 3n203x83234 7 32 improve improve VERB 3n203x83234 7 33 upon upon SCONJ 3n203x83234 7 34 the the DET 3n203x83234 7 35 force force NOUN 3n203x83234 7 36 field field NOUN 3n203x83234 7 37 . . PUNCT 3n203x83234 8 1 once once ADV 3n203x83234 8 2 a a DET 3n203x83234 8 3 suitable suitable ADJ 3n203x83234 8 4 potential potential ADJ 3n203x83234 8 5 model model NOUN 3n203x83234 8 6 is be AUX 3n203x83234 8 7 obtained obtain VERB 3n203x83234 8 8 , , PUNCT 3n203x83234 8 9 molecular molecular ADJ 3n203x83234 8 10 dynamics dynamic NOUN 3n203x83234 8 11 and and CCONJ 3n203x83234 8 12 monte monte PROPN 3n203x83234 8 13 carlo carlo PROPN 3n203x83234 8 14 simulations simulation NOUN 3n203x83234 8 15 are be AUX 3n203x83234 8 16 applied apply VERB 3n203x83234 8 17 to to PART 3n203x83234 8 18 predict predict VERB 3n203x83234 8 19 preferred preferred ADJ 3n203x83234 8 20 sorbent sorbent NOUN 3n203x83234 8 21 sites site NOUN 3n203x83234 8 22 for for ADP 3n203x83234 8 23 cations cation NOUN 3n203x83234 8 24 and and CCONJ 3n203x83234 8 25 water water NOUN 3n203x83234 8 26 molecules molecule NOUN 3n203x83234 8 27 in in ADP 3n203x83234 8 28 various various ADJ 3n203x83234 8 29 cation cation NOUN 3n203x83234 8 30 exchanged exchange VERB 3n203x83234 8 31 structures structure NOUN 3n203x83234 8 32 to to PART 3n203x83234 8 33 supplement supplement VERB 3n203x83234 8 34 experimental experimental ADJ 3n203x83234 8 35 x x NOUN 3n203x83234 8 36 - - NOUN 3n203x83234 8 37 ray ray NOUN 3n203x83234 8 38 diffraction diffraction NOUN 3n203x83234 8 39 studies study NOUN 3n203x83234 8 40 . . PUNCT 3n203x83234 9 1 in in ADP 3n203x83234 9 2 particular particular ADJ 3n203x83234 9 3 , , PUNCT 3n203x83234 9 4 this this DET 3n203x83234 9 5 study study NOUN 3n203x83234 9 6 focuses focus VERB 3n203x83234 9 7 on on ADP 3n203x83234 9 8 understanding understand VERB 3n203x83234 9 9 the the DET 3n203x83234 9 10 interplay interplay NOUN 3n203x83234 9 11 between between ADP 3n203x83234 9 12 cations cation NOUN 3n203x83234 9 13 and and CCONJ 3n203x83234 9 14 water water NOUN 3n203x83234 9 15 molecules molecule NOUN 3n203x83234 9 16 in in ADP 3n203x83234 9 17 these these DET 3n203x83234 9 18 ion ion NOUN 3n203x83234 9 19 exchangers exchanger NOUN 3n203x83234 9 20 . . PUNCT 3n203x83234 10 1 it it PRON 3n203x83234 10 2 has have AUX 3n203x83234 10 3 been be AUX 3n203x83234 10 4 amply amply ADV 3n203x83234 10 5 demonstrated demonstrate VERB 3n203x83234 10 6 that that SCONJ 3n203x83234 10 7 water water NOUN 3n203x83234 10 8 can can AUX 3n203x83234 10 9 significantly significantly ADV 3n203x83234 10 10 alter alter VERB 3n203x83234 10 11 ion ion NOUN 3n203x83234 10 12 exchange exchange NOUN 3n203x83234 10 13 performance performance NOUN 3n203x83234 10 14 due due ADP 3n203x83234 10 15 to to ADP 3n203x83234 10 16 its its PRON 3n203x83234 10 17 interaction interaction NOUN 3n203x83234 10 18 with with ADP 3n203x83234 10 19 the the DET 3n203x83234 10 20 exchangeable exchangeable ADJ 3n203x83234 10 21 cations cation NOUN 3n203x83234 10 22 . . PUNCT 3n203x83234 11 1 to to ADP 3n203x83234 11 2 this this DET 3n203x83234 11 3 end end NOUN 3n203x83234 11 4 , , PUNCT 3n203x83234 11 5 replica replica PROPN 3n203x83234 11 6 exchange exchange PROPN 3n203x83234 11 7 monte monte PROPN 3n203x83234 11 8 carlo carlo PROPN 3n203x83234 11 9 simulations simulation NOUN 3n203x83234 11 10 as as ADV 3n203x83234 11 11 well well ADV 3n203x83234 11 12 as as ADP 3n203x83234 11 13 grand grand ADJ 3n203x83234 11 14 canonical canonical PROPN 3n203x83234 11 15 monte monte PROPN 3n203x83234 11 16 carlo carlo PROPN 3n203x83234 11 17 simulations simulation NOUN 3n203x83234 11 18 are be AUX 3n203x83234 11 19 conducted conduct VERB 3n203x83234 11 20 to to PART 3n203x83234 11 21 better well ADV 3n203x83234 11 22 understand understand VERB 3n203x83234 11 23 sorptive sorptive ADJ 3n203x83234 11 24 properties property NOUN 3n203x83234 11 25 of of ADP 3n203x83234 11 26 the the DET 3n203x83234 11 27 system system NOUN 3n203x83234 11 28 , , PUNCT 3n203x83234 11 29 such such ADJ 3n203x83234 11 30 as as ADP 3n203x83234 11 31 adsorption adsorption NOUN 3n203x83234 11 32 isotherms isotherm NOUN 3n203x83234 11 33 and and CCONJ 3n203x83234 11 34 heats heat NOUN 3n203x83234 11 35 . . PUNCT 3n203x83234 12 1 the the DET 3n203x83234 12 2 computed computed ADJ 3n203x83234 12 3 properties property NOUN 3n203x83234 12 4 compare compare VERB 3n203x83234 12 5 well well ADV 3n203x83234 12 6 with with ADP 3n203x83234 12 7 existing exist VERB 3n203x83234 12 8 experimental experimental ADJ 3n203x83234 12 9 measurements measurement NOUN 3n203x83234 12 10 , , PUNCT 3n203x83234 12 11 giving give VERB 3n203x83234 12 12 indication indication NOUN 3n203x83234 12 13 that that SCONJ 3n203x83234 12 14 the the DET 3n203x83234 12 15 physics physics NOUN 3n203x83234 12 16 of of ADP 3n203x83234 12 17 each each DET 3n203x83234 12 18 system system NOUN 3n203x83234 12 19 is be AUX 3n203x83234 12 20 adequately adequately ADV 3n203x83234 12 21 described describe VERB 3n203x83234 12 22 through through ADP 3n203x83234 12 23 the the DET 3n203x83234 12 24 intermolecular intermolecular ADJ 3n203x83234 12 25 potential potential ADJ 3n203x83234 12 26 model model NOUN 3n203x83234 12 27 . . PUNCT 3n203x83234 13 1 given give VERB 3n203x83234 13 2 that that SCONJ 3n203x83234 13 3 an an DET 3n203x83234 13 4 accurate accurate ADJ 3n203x83234 13 5 potential potential ADJ 3n203x83234 13 6 model model NOUN 3n203x83234 13 7 has have AUX 3n203x83234 13 8 been be AUX 3n203x83234 13 9 developed develop VERB 3n203x83234 13 10 , , PUNCT 3n203x83234 13 11 the the DET 3n203x83234 13 12 ultimate ultimate ADJ 3n203x83234 13 13 goal goal NOUN 3n203x83234 13 14 is be AUX 3n203x83234 13 15 to to PART 3n203x83234 13 16 utilize utilize VERB 3n203x83234 13 17 molecular molecular ADJ 3n203x83234 13 18 modeling modeling NOUN 3n203x83234 13 19 techniques technique NOUN 3n203x83234 13 20 to to PART 3n203x83234 13 21 understand understand VERB 3n203x83234 13 22 what what PRON 3n203x83234 13 23 controls control VERB 3n203x83234 13 24 the the DET 3n203x83234 13 25 selectivity selectivity NOUN 3n203x83234 13 26 for for ADP 3n203x83234 13 27 certain certain ADJ 3n203x83234 13 28 ions ion NOUN 3n203x83234 13 29 and and CCONJ 3n203x83234 13 30 to to PART 3n203x83234 13 31 determine determine VERB 3n203x83234 13 32 if if SCONJ 3n203x83234 13 33 this this DET 3n203x83234 13 34 selectivity selectivity NOUN 3n203x83234 13 35 can can AUX 3n203x83234 13 36 be be AUX 3n203x83234 13 37 enhanced enhance VERB 3n203x83234 13 38 through through ADP 3n203x83234 13 39 structural structural ADJ 3n203x83234 13 40 modification modification NOUN 3n203x83234 13 41 of of ADP 3n203x83234 13 42 the the DET 3n203x83234 13 43 materials material NOUN 3n203x83234 13 44 . . PUNCT