화학공학소재연구정보센터
검색결과 : 104건
No. Article
1 Deep Eutectic Solvents: A Review of Fundamentals and Applications
Hansen BB, Spittle S, Chen B, Poe D, Zhang Y, Klein JM, Horton A, Adhikari L, Zelovich T, Doherty BW, Gurkan B, Maginn EJ, Ragauskas A, Dadmun M, Zawodzinski TA, Baker GA, Tuckerman ME, Savinell RF, Sangoro JR
Chemical Reviews, 121(3), 1232, 2021
2 Phase Equilibria, Diffusivities, and Equation of State Modeling of HFC-32 and HFC-125 in Imidazolium-Based Ionic Liquids for the Separation of R-410A
Morais ARC, Harders AN, Baca KR, Olsen GM, Befort BJ, Dowling AW, Maginn EJ, Shiflett MB
Industrial & Engineering Chemistry Research, 59(40), 18222, 2020
3 Use of a New Size-Weighted Combining Rule to Predict Adsorption in Siliceous Zeolites
Romanielo LL, Pereira MGMV, Arvelos S, Maginn EJ
Journal of Chemical and Engineering Data, 65(4), 1379, 2020
4 SEM-Drude Model for the Accurate and Efficient Simulation of MgCl2-KCl Mixtures in the Condensed Phase
Sharma S, Emerson MS, Wu F, Wang HM, Maginn EJ, Margulis CJ
Journal of Physical Chemistry A, 124(38), 7832, 2020
5 Characteristics of Impactful Computational Contributions to The Journal of Physical Chemistry B
Jungwirth P, Maginn EJ, Roux B, Schmid F, Shea JE
Journal of Physical Chemistry B, 124(25), 5093, 2020
6 Liquid Structure and Transport Properties of the Deep Eutectic Solvent Ethaline Published as part of The Journal of Physical Chemistry virtual special issue "Deep Eutectic Solvents".
Zhang Y, Poe D, Heroux L, Squire H, Doherty BW, Long ZR, Dadmun M, Gurkan B, Tuckerman ME, Maginn EJ
Journal of Physical Chemistry B, 124(25), 5251, 2020
7 Deep Eutectic Solvents: A New Class of Versatile Liquids
Gurkan BE, Maginn EJ, Pentzer EB
Journal of Physical Chemistry B, 124(50), 11313, 2020
8 Fully Atomistic Molecular Dynamics Simulations of Hydroxyl-Terminated Polybutadiene with Insights into Hydroxyl Aggregation
Tow GM, Maginn EJ
Macromolecules, 53(7), 2594, 2020
9 Solvation Structure and Dynamics of Li+ in Ternary Ionic Liquid-Lithium Salt Electrolytes
Huang QW, Lourenco TC, Costa LT, Zhang Y, Maginn EJ, Gurkan B
Journal of Physical Chemistry B, 123(2), 516, 2019
10 Role of Molecular Modeling in the Development of CO2-Reactive Ionic Liquids
Sheridan QR, Schneider WF, Maginn EJ
Chemical Reviews, 118(10), 5242, 2018