CO<sub>2</sub> and SO<sub>2</sub> Pressure-Driven Adsorption by 3D Graphene Nanoslits: A Molecular Dynamics Study

<div>Potential of mean force (PMF) of CO<sub>2</sub> and SO<sub>2</sub> molecules as a function of the distance from the graphene nanoslit. Two molecular conformations are considered: parallel and orthogonal to the graphene surface. The energy is measured as a function of the thermal energy <span class="nowrap"><svg height="12.4698pt" id="M36" style="vertical-align:-3.18147pt" version="1.1" viewbox="-0.0498162 -9.28833 20.7789 12.4698" width="20.7789pt" xmlns="http://www.w3.org/2000/svg" xmlns:xlink="http://www.w3.org/1999/xlink"><g transform="matrix(.013,0,0,-0.013,0,0)"><path d="M480 416C480 431 465 448 438 448C388 448 312 383 252 330C217 299 188 273 155 237H153L257 680C262 700 263 712 253 712C240 712 183 684 97 674L92 648L126 647C166 646 172 645 163 606L23 -6L29 -12C51 -5 77 2 107 8C115 62 130 128 142 180C153 193 179 220 204 241C231 170 259 106 288 54C317 0 336 -12 358 -12C381 -12 423 2 477 80L460 100C434 74 408 54 398 54C385 54 374 65 351 107C326 154 282 241 263 299C296 332 351 377 403 377C424 377 436 372 445 368C449 366 456 368 462 375C472 386 480 402 480 416Z"></path></g><g transform="matrix(.0091,0,0,-0.0091,6.474,3.132)"><path d="M372 352C427 368 507 407 507 502C507 548 486 592 451 616C420 638 376 650 301 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34C231 34 213 53 213 125V328Z"></path></g><g transform="matrix(.013,0,0,-0.013,15.975,0)"><path d="M535 323V373H52V323H535ZM535 138V188H52V138H535Z"></path></g><g transform="matrix(.013,0,0,-0.013,27.238,0)"><path d="M384 0V27C293 34 287 42 287 114V635C232 613 172 594 109 583V559L157 557C201 555 205 550 205 499V114C205 42 199 34 109 27V0H384Z"></path></g><g transform="matrix(.013,0,0,-0.013,33.478,0)"><path d="M113 -12C146 -12 170 11 170 46C170 78 146 103 114 103S58 78 58 46C58 11 82 -12 113 -12Z"></path></g><g transform="matrix(.013,0,0,-0.013,36.442,0)"><path d="M285 378C315 398 338 416 353 432C373 451 384 474 384 503C384 579 325 635 236 635H235C182 635 136 610 108 579L65 516L85 496C110 533 150 575 205 575C258 575 300 543 300 481C300 407 232 369 141 339L147 310C163 315 188 321 211 321C268 321 338 284 338 192C338 94 288 40 217 40C160 40 119 68 93 91C85 98 77 97 69 91C60 84 47 71 46 58C44 46 48 35 62 22C75 10 116 -12 162 -12C234 -12 424 62 424 224C424 297 373 359 285 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440 449 512 488 547C551 605 575 615 650 622V650H410V622L433 619C478 614 479 604 449 568C404 513 337 443 282 390C254 364 234 350 212 345V520C212 609 222 616 299 622V650H41V622C120 616 128 611 128 520V128C128 41 120 34 44 28V0H304V28C221 34 212 41 212 128V318C229 321 242 318 266 291C355 185 436 87 514 0H667Z"></path></g></svg> is the Boltzmann constant and <svg height="9.16851pt" id="M38" style="vertical-align:-0.2063904pt" version="1.1" viewbox="-0.0498162 -8.96212 53.0823 9.16851" width="53.0823pt" xmlns="http://www.w3.org/2000/svg" xmlns:xlink="http://www.w3.org/1999/xlink"><g transform="matrix(.013,0,0,-0.013,0,0)"><path d="M620 675H597C578 656 570 650 541 650H144C112 650 104 653 94 675H72C59 618 42 552 23 493L53 491C71 534 88 564 105 585C124 608 144 615 238 615H290L197 121C182 40 174 34 88 28L82 0H361L367 28C275 34 266 38 281 121L374 615H441C522 615 543 608 553 583C562 560 566 531 565 493L597 494C603 551 612 629 620 675Z"></path></g><g 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Journal of Nanomaterials

fig4

Figure 4

Figure 4: CO<sub>2</sub> and SO<sub>2</sub> Pressure-Driven Adsorption by 3D Graphene Nanoslits: A Molecular Dynamics Study 

Journal of Nanomaterials

CO2 and SO2 Pressure-Driven Adsorption by 3D Graphene Nanoslits: A Molecular Dynamics Study

Figure 4

CO₂ and SO₂ Pressure-Driven Adsorption by 3D Graphene Nanoslits: A Molecular Dynamics Study