9/12/2023: Gennady visited Texas A&M University presenting a seminar in the Petroleum Engineering Seminar Series.
9/05/2023: Gennady started his sabbatical leave, spending the first part of it at Princeton University working with Howard Stone's Complex Fluids Group.
8/19/2023: This summer our group hosted three high school students, two of them through the Liberty Science Center's Partners in Science program: Rishan Tilve and Alexandra Whittle. At the research symposium organized by the LSC, Rishan presented his research on modeling liquid metals, and Allie presented on modeling ultrasound propagation in batteries.
Allie commented on her experience as follows: "I really enjoyed learning how to code and how to apply it to problems in my desired field of study - chemical engineering - and get actual results that can be used by scientists in their research." Read more in the highlights of the event published by the LSC.
8/10/2023: Gennady attended the Research Project Showcase organized by Bergen Community College, serving as a judge for students poster and participating as a pannelist in the Career Connection.
8/09/2023: Our paper (Ogbebor, J.; Valenza, J. J.; Ravikovitch, P. I.; Karunarathne, A.; Muraro, G.; Lebedev, M.; Gurevich, B. Khalizov, A. F.; Gor, G. Y. "Ultrasonic Study of Water Adsorbed in Nanoporous Glasses") was published in Phys. Rev. E. The PDF is available at DOI: 10.1103/PhysRevE.108.024802.
The paper reports experimental study of water adsorbing in nanoporous glasses. This work, supported by NSF, confirmed our hypothesis that water in a nanopore is stiffer than the bulk water. Congratulations to Jason, on his first publication!
8/04/2023: Our paper (Emelianova, A.; Balzer, C.; Reichenauer, G.; Gor, G. Y. "Adsorption-Induced Deformation of Zeolites 4A and 13X: Experimental and Molecular Simulation Study") came out in Langmuir. The PDF is available at DOI: 10.1021/acs.langmuir.3c01248.
The experiments done a few years back by Christian Balzer and Gudrun Reichenauer showed qualitative difference in adsorption-induced deformations for two types of zeolites, for which the adsorption isotherms looked very similar. Thermodynamic model was not able to explain this difference. However, coupled MC-MD simulation, utilized by Alina Emelianova, helped to resolve the puzzle.
The paper was selected as "ACS Editors' Choice", so it is available free of charge.
8/03/2023: Emely Urena, a rising senior at the Jose Marti STEM Academy, and a summer intern in my lab as a part of the ACS SEED program, presented her work "Computational Analysis of Excess Properties of Binary Liquid Mixtures" (mentors Ella Ivanova and Matthew Stickles).
7/27/2023: The NJIT Summer URI program culminated with the Research Symposium. Our group hosted two student these summer, Matt Stickles who presented his work "Molecular Dynamics Simulations of Chemical Warfare Agent Surrogate Mixtures" (mentor Ella Ivanova) and Geordy Jomon from Bergen Community College who presented his work "Computational Models for Liquid Gallium" (mentor Santiago Alberto Flores Roman).
6/15/2023: Gennady and Elly attended the MSEE Annual Technical Review held at Johns Hopkins University, presenting the new results on molecular simulation of organophosphorus liquids. Elly's presentation brought her the best poster award!
5/31/2023: Gennady visited Drexel University presenting a seminar on fluids in nanoporous solids in the Materials Science and Engineering Seminar Series.
5/30/2023: We organized the 4th Molecular Simulation Workshop. Over the last few years, this event grew from a small NJIT event into a regional meeting. We hosted a number of researchers from NJIT, Rutgers Newark, Rutgers New Brunswick, StonyBrook, CCNY, UPenn, Princeton and ExxonMobil.
5/25/2023: Our paper (Flores Roman, S.; Barbosa, G.; Gor, G. Y. "Elasticity of Confined Simple Fluids from an Extended Peng-Robinson Equation of State") was published in Ind. Eng. Chem. Res.. The PDF is available at DOI: 10.1021/acs.iecr.3c00549. The paper presents an illustration how compressibility of a confined fluid can be predicted from an equation of state (and discusses the limitations of this approach). Congratulations to Santiago on his first paper!
5/24/2023: Gennady attended the 2023 Interpore Meeting, presenting the work on ultrasound in nanoporous glasses in the Special Session in honor of Signe Kjelstrup, an expert in thermodynamics of small systems.
5/11/2023: Gennady presented an plenary lecture "Compressibility of Fluids in Nanoporous Materials: Molecular Modeling and Ultrasonic Experiments" at the 1st International Seminar on Modelling, Simulation and Machine Learning for the rapid development of porous materials, May 10-12, 2023, Cologne, Germany.
4/26/2023: Gennady presented an invited talk "What Can Ultrasound Tell Us About Adsorption" at the Adsorption Week, Conference and PhD Workshop, April 25-27, 2023, Leipzig, Germany.
4/21/2023: Congratulations to Alina on her succesful defense of her doctoral dissertation "Molecular Simulations of Mechanical Effects of Adsorption in Gas and Liquid Phases"! After graduation Alina will be joining Princeton University as a postdoc.
4/15/2023: Gennady presented seminars at the Chemical Engineering departments at Korea University and Busan National University in South Korea.
4/04/2023: Our paper (Ivanova, E. V.; Vasudevan, A.; Senyurt, E. I.; Schoenitz, M; Khalizov, A. F.; Dreizin, E. L.; Gor, G. Y., "Surface Tension of Organophosphorus Compounds: Sarin and its Surrogates") was published in Langmuir. The PDF is available at DOI: 10.1021/acs.langmuir.3c00460. The paper presents a joined experimental and molecular simulation study of surface tension of organophosphates, which is necessary for modeling their aerosols. The work is a collaboration with Ed Dreizin's group, and a part of a larger collaborative effort within the MSEE URA (Materials Science in Extreme Environments University Research Alliance).
3/28/2023: Our paper (Emelianova, A.; Reed, A.; Basharova, E. A.; Kolesnikov, A. L.; Gor, G. Y. "Closer Look at Adsorption of Sarin and Simulants on Metal-Organic Frameworks") was published in ACS Appl. Mater. Interfaces. The PDF is available at DOI: 10.1021/acsami.3c02713. The paper presents a molecular simulation studies of adsorption of organophosphorus compounds in various MOFs. Our results helps identifying which of the simulants represent CWAs better.
3/15/2023: Gennady presented at the Geophysics Seminar at Lawrence Berkeley National Laboratory "Compressibility of Nanoconfined Fluids: Relating Atomistic Modeling to Ultrasonic Experiments".
2/03/2023: Our paper (Maksimov, A. V.; Molina, M.; Maksimova, O. G.; Gor, G. Y. "Prediction of Swelling of Polypropylene Separators and its Effect on the Lithium-Ion Battery Performance") was published in ACS Applied Polymer Materials. The PDF is available at DOI: 10.1021/acsapm.2c02074. This work proposes a simple model to predict how different organic solvents affect the separators in LIBs, changing the resistance of the battery.
1/31/2023: Gennady visited the Department of Department of Chemistry and Biochemistry at Seton Hall University and gave a seminar "Molecular Modeling of Sarin and Its Simulants: Bulk, in Aerosols, and Adsorbed".
1/12/2023: Congratulations to Santiago on his succesful qualifying examination!
12/09/2022: Gennady visited the Department of Materials Science and Engineering at University of Pennsylvania and gave a seminar "Compressibility of Nanoconfined Fluids: Relating Atomistic Modeling to Ultrasonic Experiments". The seminar was also presented online at the Statistical Thermodynamics and Molecular Simulations (STMS) Virtual Seminar Series.
11/23/2022: Gennady presented a plenary talk "Compressibility of Adsorbed Fluids from Molecular Simulations and Ultrasonic Experiments" at the 14th Brazilian Meeting on Adsorption, November 23-25, 2022, Brasilia, Brazil.
11/18/2022: Gor's group attended the AIChE Annual Meeting: Alina Emelianova, Ella Ivanova, and Allen Reed! Ella presented a talk "Surface Tensions of Organophosphorus Compounds". Alina presented two talks "Molecular Simulations of Vapor-Liquid Equilibrium of Isocyanates" and "Molecular Simulations Study of Calcium Carbonate-Amino Acid-Dentin Interactions" and a poster as a postdoc candidate. On the photo Alina and Ella are with Alex Neimark's PhD students: Shivam and Nick (Gor's group alumnus).
11/11/2022: NJIT Highlighted Jason's undergraduate research experience in a short video.
10/27/2022: Our project "A Multiscale Model for Restructuring of Atmospheric Soot Particles" (PI: Khalizov, Co-PI: Gor) was funded by the NSF. More details are available on the NJIT news We have an opening for a postdoctoral researcher and a PhD student to work on this project.
10/21/2022: We are looking for new Ph.D. students to join the lab in January 2023. There are two different Ph.D. opportunities: modeling and experimental (co-advised by Prof. Alexei Khalizov). A postdoctoral position in molecular simulation is also available. More details...
10/19/2022: Gennady visited Johns Hopkins University and gave a seminar "Compressibility of Nanoconfined Fluids: Relating Atomistic Modeling to Ultrasonic Experiments".
10/10/2022: Gennady visited Oregon State University and gave a seminar "Compressibility of Nanoconfined Fluids: Relating Atomistic Modeling to Ultrasonic Experiments", highlighting the most recent results by Jason Ogbebor.
9/19/2022: We hosted our collaborator Professor Boris Gurevich from Curtin University in Australia. Boris presented a CME Department Seminar on effects of humidity on wave propagation in rocks.
9/15/2022: The first lecture of Gennady's "Python for Chemical Engineering Calculations" is now on LearnChemE.com. The other lectures will follow soon!
9/01/2022: We received a NSF(USA)/DFG(Germany) grant, "NSF-DFG Confine: Aqueous Electrolytes in Nanoporous Media: Structure, Dynamics and Electrochemo-Mechanical Actuation" in collaboration with Prof. Patrick Huber and Prof. Michael Froba from Hamburg. More details are available on the NJIT news.
8/20/2022: Our high-school interms gave final presentations based on their summer research at the Partners in Science research symposium. Sharvani spoke on "Predicting the Surface Tension of Organophosphorus Liquids" and Josh presented on "Theoretical Predictions and Models for Viscosity of Organophosphorus Liquids".
8/16/2022: Gennady visited the Liberty Science Center and met with the participants high-school summer research program Partners in Science to speak on "College and Research: Q&A with a ChemE Professor".
7/29/2022: We hosted our collaborators from ExxonMobil Corporate Strategic Research, Dr. John Valenza and Dr. Peter Ravikovitch. With their help, and also with help of our collaborators Prof. Boris Gurevich and Prof. Maxim Lebedev (from Curtin University, Australia), Jason Ogbebor assembled a new adsorption-ultrasonic setup and started getting first experimental data for our NSF project.
7/28/2022: Jason Ogbebor and Matt Stickles presented the results of their research at the 2022 Undergraduate Summer Research and Innovation (URI) Symposium.
7/05/2022: Our paper (Ivanova, E. V.; Emelianova, A.; Khalizov, A. F.; Gor, G. Y. "Molecular Simulation of Benzene Adsorption in Graphitic and Amorphous Carbon Slit Pores") was published in J. Chem. Eng. Data as a part of the Special Issue: Equilibrium Adsorption Data for Energy and Environmental Applications. The PDF is available at DOI: 10.1021/acs.jced.2c00063. This work is a step towards understanding the microscopic mechanism of restructuring of atmospheric soot aggregates.
7/05/2022: Welcome to our High School Summer Research Interns, Sharvani Vadlamani and Joshua Oliveira, participants of the Partners in Science program run by the Liberty Science Center.
6/24/2022: Gennady and Elly attended the MSEE Annual Technical Review held on 6/22/2022-6/24/2022 at Johns Hopkins University in Baltimore, MD. Gennady presented a talk "Surface Tension of Organophosphorus Compounds" and Elly presented a poster "Predictions of the Surface Tensions of CWA and their Simulants" based on their collaborative work with Dreizin's group.
6/17/2022: Gennady participated in The Faculty Fellowship Program in Israel, establishing new connections with Israeli researcher at the Ben Gurion University, Bar Ilan University, Tel Aviv University, Technion - Israel Institute of Technology, etc.
6/15/2022: NJIT Board of Trustees approved a recommendation that Gennady Gor will be granted promotion to the rank of Associate Professor with tenure effective with the beginning of the 2022-2023 academic year.
5/27/2022: This week was an important week for the adsorption community: the main triennial meeting 14th International Conference on Fundamentals of Adsorption (FOA-14) was held at Broomfield, CO, USA on May 22-27, 2022. Alina presented a poster "Molecular Simulation Study of Elastic Properties of Carbon Dioxide Adsorbed in Silicalite-1" (A. Emelianova, G. Y. Gor), Elly presented a talk "Molecular Simulation of Benzene Adsorption on Carbon Surface: Towards Understanding of Soot Restructuring" (E. V. Ivanova, A. F. Khalizov, G. Y. Gor), Gennady presented the talk "Compressibility of Confined Water: a Molecular Simulations Study" (G. Y. Gor, J. Ogbebor, A. F. Khalizov)
5/23/2022: Congratulations to Jason Ogbebor and Matt Stickles on their URI Provost Summer Fellowships!
4/29/2022: The CME department held the Annual Scholarship, Service, and Research Awards Ceremony, where three of our group members received a number of awards: Elly received the Graduate Student Early Publication Award, Alina received the Graduate Research Award, and Marcos received the Undergraduate Research Award. Marcos also received Thomas C. Pederson '76 Endowment Scholarship, Chemical Merit Scholarship, Chemical and Materials Annual Scholarship, and Peter O. Shull '55-EASM Scholarship. Congratulations!
4/23/2022: After a long break due to the pandemic, we revitalized our tradition on Molecular Simulation Workshops. Following our fruitful 2018 workshop, and 2019 workshop on May 13, 2022 the CME Department and the Gor group organized the third workshop on molecular simulations. More details...
4/15/2022: Congratulations to Marcos on making his next career step! He received admission from all the top PhD programs he applied to: UPenn, Columbia, Princeton, and MIT. He accepted the Princeton's offer and will join the Princeton CBE department this Fall.
4/09/2022: On April 8-9, 2022 NJIT hosted 2022 AIChE Mid-Atlantic Region Student Conference. Thanks to Ella, Alina and Santiago for volunteering, and congratulations to Allen and his ChemE car team on the 1st Place in the ChemE Car Poster contest and 2nd Place in the ChemE Car Performance contest!
4/09/2022: Congratulations to Marcos on the Outstanding Chemical Engineering Senior award!
3/29/2022: Congratulations to Alina and Elly on the travel grant from NSF and DOE to participate in FOA-14, the 14th International Conference on Fundamentals of Adsorption.
11/30/2021: Alina presented her work on developing force fields for organophosphorus compounds at the "NJIT Graduate Research Day 2021". Her presentation took the second place and received a travel award from the Graduate Students Association.
11/12/2021: Our group attended the AIChE Annual Meeting in Boston, MA. Gennady and Alina chaired the "Molecular and Data Science Modeling of Adsorption" session. Jason presented a poster "Effect of Nanoporous Confinement on the Compressibility of Water: A Molecular Simulation Study" in the undergraduate poster session, Alina presented a talk "Revisiting the Trappe Force Field for Organophosphorus Compounds: Sarin, DMMP, and DIMP" and a poster in the special WIC Session. Gennady gave a talk "Oral Exams in Undergraduate Cheme Thermo Taught Online" in the Education Divison session.
10/19/2021: Our topical review (Kolesnikov, A.; Budkov, Y. A. and Gor, G. Y. "Models of adsorption-induced deformation: ordered materials and beyond") has been accepted for publication in Journal of Physics: Condensed Matter. The paper is available online at DOI: 10.1088/1361-648X/ac3101
10/19/2021: Gennady presented an invited talk "Compressibility of Adsorbed Water from Molecular Simulations" at the Dubinin Conference "Physicochemical problems of adsorption, structure and surface chemistry of nanoporous materials" at IPCE RAS, Moscow, Russia, October 18-22, 2021.
10/15/2021: Congratulations to Alina on the 2021 AIChE Women in Chemical Engineering (WIC) Travel Award!
10/07/2021: Our paper (Emelianova, A. and Gor, G. Y. "Molecular Simulations of Vapor-Liquid Equilibrium of Isocyanates") has been accepted for publication in J. Phys. Chem. B. This is an example of use of molecular simulations as an alternative to experiments -- when the compounds of interest are toxic, so that its experimental studies are dangerous and challenging. The paper is available online at DOI: 10.1021/acs.jpcb.1c07132
9/20/2021: Gennady presented an invited talk "Fluctuations in Confined Fluid from Molecular Simulation and their Relation to Experiments" at the CECAM Workshop "Recent progress in the statistical mechanics of solutions through Kirkwood-Buff integrals and related approaches" held in Dijon, France, September 20-22, 2021.
8/23/2021: Congratulations to Elly on successful defence of her dissertation proposal!
7/21/2021: Gennady presented an overview of ChemE profession and ChemE research for a group high-school students participating in the Liberty Science Center's summer research program Partners in Science.
6/29/2021: Welcome to our High School Summer Research Intern, Siddarth Kunisetty from Middlesex County Academy for Science, Mathematics, and Engineering Technologies. Sid is a participant of the Partners in Science program run by the Liberty Science Center.
6/18/2021: Congratulations to Max on succesful defense of his doctoral dissertation "Advances in Modeling Gas Adsorption in Porous Materials for the Characterization Applications"!
6/05/2021: Gennady Gor and Patrick Huber (together with Ahmad Sakhee-Pour) organized the minisymposium "Fluids in Nanoporous Media" at the 13th Interpore Annual Meeting, held online on May 31-June 4, 2021. This year was the 6th time our minisymposium was a part of the Interpore meeting.
5/21/2021: Congratulations to Chris Kossor on receiving the President's Medal for Academic Excellence!
5/07/2021: Congratulations to Sydney Sweet to be selected as this year's Newark College of Engineering Outstanding Senior!
4/30/2021: Congratulations to Jason Ogbebor on being selected for the McNair Post-Baccalaureate Achievement Program!
4/27/2021: Congratulations to Vincent Tews and Jason Ogbebor on 2021 Provost Summer Research Fellowship Awards!
4/24/2021: Our invited review (Dobrzanski, C. D.; Gurevich, B.; Gor, G. Y. "Elastic Properties of Confined Fluids from Molecular Modeling to Ultrasonic Experiments on Porous Solids") was published in Appl. Phys. Rev. (Impact Factor = 17.05). Furthermore, this paper was chosen as Editor's Pick, and is highlighted on the journal's webpage. The paper is available online at DOI: 10.1063/5.0024114
4/20/2021: Congratulations to Max Maximov on the CME Department Annual Award for Excellence in Graduate Research!
4/20/2021: Congratulations to Marcos Molina on being selected for the Pathways to Computing Virtual Internship Program! He will work this summer with researchers from ORNL.
4/15/2021: Gennady gave a guest lecture in ChE 101 course "Intro to Chemical Engineering", speaking about research opportunities for undergraduate students in his group and CME department in general.
3/24/2021: Congratulations to Alina, Lisa, Andrei, Evaristo, and Elly! Their paper "Force Fields for Molecular Modeling of Sarin and its Simulants: DMMP and DIMP" has been accepted for publication in J. Phys. Chem. B. This work exemplifies a case when molecular simulations are highly preferential over the experiments, as they allow one to get thermodynamic properties of highly toxic compounds. The paper is available online at DOI: 10.1021/acs.jpcb.0c10505
2/22/2021: Congratulations to Max and Marcos on their work "The Effect of Interconnections on Gas Adsorption in Materials with Spherical Mesopores: a Monte Carlo Simulation Study", which was accepted for publication in J. Chem. Phys.'s Special Topic Collection "Fluids in Nanopores". In this paper we showed that taking into account interconnections between spherical pores when modeling gas adsorption can have a huge effect on the pore-size distribution derived from the kernels of theoretical isotherms. The paper is available online at DOI: 10.1063/5.0040763
1/13/2021: Together with Dr. Irina Molodetsky, Gennady presented a talk "Oral Assessments in the Undergraduate Engineering Courses" at the Institute for Teaching Excellence Workshop, sharing the experience of teaching Thermo II online in the Fall 2020.
11/12/2020: Registration for the Spring 2021 courses are open. This Spring Prof. Gor will be teaching a new undergraduate elective ChE 490: Python for Chemical Engineering Calculations. Open for all ChemE undergraduates. No pre-reqs. Honors section is available. More details...
10/26/2020: Gennady presented an overview of ChemE profession and ChemE research for high-school students at Jose Marti STEM Academy (Union City, NJ).
10/26/2020: Congratulations to Elly, her first paper "Kinetic Model for Competitive Condensation of Vapor between Concave and Convex Surfaces in a Soot Aggregate" was accepted for publication in Aerosol Science and Technology. This paper is a result of collaborative work with Professor Alexei Khalizov group (NJIT Chemistry), aiming to quantify the process of restructuring of soot particles as a result of vapor condensation on their surface. The PDF of the paper is available at DOI: 10.1080/02786826.2020.1846677
9/24/2020: Gennady presented a seminar "Compressibility of Subcritical and Supercritical Fluids Confined in Nanopores" at Chemical and Petroleum Engineering graduate seminar series at The University of Kansas. The recording of the lecture is available on our youtube channel.
9/01/2020: Gennady Gor and Patrick Huber organized the minisymposium "Fluids in Nanoporous Media" at the 12th Interpore Annual Meeting, held online on August 31-September 5, 2020. Gennady gave a talk "Density Functional Theory Model for Adsorption-Induced Deformation of Materials with Convex Pore Walls" (A. Kolesnikov, G. Y. Gor), the recording of the talk is available on our youtube channel.
8/19/2020: Our High School Summer Research Interns presented the results of their research projects: Aditya Sivaraman spoke on "Isothermal Elastic Modulus of a Square-Well Fluid in a Nanopore" and Caroline Zhao presented on "Solvation Pressure of a Confined Square-Well Fluid".
8/12/2020: Our new paper got accepted to J. Phys. Chem. C. The work "Density Functional Theory Model for Adsorption-Induced Deformation of Mesoporous Materials with Non-Convex Pore Geometry" reports the results obtained by Dr. Andrei Kolesnikov during his recent research stay at NJIT as a DAAD scholar.
Using the classical density functional theory we have modeled gas adsorption in CMK3-type of materials, where the pores are formed as spaces between the hexagonally arranged rods. Furthermore, we calculated the solvation pressure induced by gas adsorption, which drives the adsorption-induced deformation process. Our predictions show a qualitatively different behavior as compared to the cylindrical pore model, frequently used for these materials.
The PDF is available at DOI: 10.1021/acs.jpcc.0c03963
8/06/2020: Gennady gave an invited talk "Compressibility of Nanoconfined Fluids: Relating Atomistic Modeling to Ultrasonic Experiments" at the "Atomistic Simulations for Industrial Needs" workshop organized by NIST. The workshop was held online on August 5th to 7th, 2020 and the workshop materials are available at here. The slides of the presentation can be found here.
7/15/2020: Gennady presented an overview of ChemE profession and ChemE research for a group high-school students participating in the Liberty Science Center's summer research program Partners in Science. The recording of the lecture is available on Youtube.
7/06/2020: Welcome to our High School Summer Research Interns, participants of the Partners in Science program run by the Liberty Science Center: Aditya Sivaraman from South Brunswick High School and Caroline Zhao from Union County Magnet High School!
6/26/2020: Alina gave a talk at the NJIT Material Advantage Meeting. She presented some preliminary results on her work "Adsorption-Induced Deformation of Faujasite Zeolites: Molecular Simulation Study". The video of her presentation is available on youtube.
6/24/2020: Congratulations to Alina and Max, their paper "Solvation Pressure in Spherical Mesopores: Macroscopic Theory and Molecular Simulations" was published in AIChE Journal. The PDF is available at DOI: 10.1002/aic.16542
5/29/2020: Congratulations to Elly on her succesful qualifying examination!
4/28/2020: Welcome to Maya Ghosh and Vinny Tews, who joined the group recently as undergraduate researches!
4/17/2020: Congratulations to Chris on successful Ph.D. defense "Calculating Elastic Properties of Confined Simple Fluids"!
4/08/2020: Congratulations to Alina who has been awarded a Chemical Engineering Annual Scholarship and Service Award for her outstanding service to the department!
4/01/2020: Another paper by Chris and Nick was published, now in Industrial & Engineering Chemistry Research. Congratulations! The work "Compressibility of Simple Fluid in Cylindrical Confinement: Molecular Simulation and Equation of State Modeling" demonstrates how a modified cubic EOS predicts the departure of compressibility of fluid due to confinement.
The PDF is available at DOI: 10.1021/acs.iecr.0c00693
3/21/2020: The long-awaited paper by Lukas Ludescher came out in Adsorption. His work "Capillary Bridge Formation between Hexagonally Ordered Carbon Nanorods" resulted from his research visit in the Fall 2017. It presented a neat analytical model for gas adsorption in templated monolithic nanoporous carbons.
The PDF is available at DOI: 10.1007/s10450-020-00215-6
1/20/2020: Congratulations to Nick and Chris on their new paper, which came out in Energy & Fuels today! The work "Compressibility of Supercritical Methane in Nanopores: a Molecular Simulations Study" shows that the effect of confinement on compressibility of supercritical fluid is much stronger than on subcritical.
The PDF is available at DOI: 10.1021/acs.energyfuels.9b03592
1/16/2020: Gennady visited two leading universities in Moscow. He attended a Workshop at SkolTech, presenting a talk "Compressibility of Simple Fluids in Nanopores and its Effect on Wave Propagation in Fluid-Saturated Porous Media". Additionally he presented "Adsorption-Induced Deformation of Nanoporous Materials" at joint seminar organized by the Center for Design, Manufacturing, and Materials (CDMM) and the Center for Computational and Data-Intensive Science and Engineering (CDISE).
At Moscow State University Gennady visited the physics department and gave a seminar on "Compressibility of Subcritical and Supercritical Fluids Confined in Nanopores".
10/21/2019: Congratulations to Max on his new paper, which came out in Langmuir today. The work "Pore Size Distribution of Silica Colloidal Crystals from Nitrogen Adsorption Isotherms" is a result of collaboration with Dr. Galukhin from Kazan Federal University.
The PDF is available at DOI: 10.1021/acs.langmuir.9b02252
10/21/2019: Gennady visited Ohio University presenting a talk "Compressibility of Simple Fluids Confined in Nanopores" in the Department of Chemical and Biomolecular Engineering seminar series.
10/01/2019: Welcome to new group members: undergraduate researchers Alexander Guillen and Daniel Galada, and visiting researchers Dr. Andrei Kolesnkiov and Prof. Veniamin Morgenshtern.
9/01/2019: New academic year starts, and we welcome the new group member, Gary Thomas scholarship recipient, Ella Ivanova. Also, we wish best of luck to our alumn, Nick Corrente, who spent last 1.5 years in the group as an undergraduate researcher, and now starting as a Ph.D. student at Rutgers University.
8/22/2019: Juan Valencia, a high-school summer intern from Union City High School, presented the results of his research entitled "Molecular Simulation of Confined Fluid in Atomistically Rough Nanopore" at the 33rd Annual Partners in Science Research Symposium held at the Liberty Science Center.
8/05/2019: Suneedhi Laddah, a high-school summer intern from the JP Stevens High School presented her summer project "Assessment of Sandstone Nanoporosity and its Role for the Adsorption-Induced Deformation" at the NJIT's Provost High School Summer Research Symposium.
8/04/2019: The new paper from DIANA collaboration came out in Langmuir: Ludescher et al., "In-situ small-angle neutron scattering investigation of adsorption-induced deformation in silica with hierarchical porosity". This work is the first to use in situ SANS for measuring adsorption-induced deformation of mesoporous materials.
The PDF is available at DOI: 10.1021/acs.langmuir.9b01375
8/01/2019: Marcos Molina, rising sophomore in the CME department, and a research assistant in Gor's group presented his summer project "Integrated Solid-Fluid Interaction Potential for Modeling Gas Adsorption in Templated Mesoporous Carbons" at the NJIT's 12th International Undergraduate Research Symposium. You can learn more about this event at NJIT URI website: NJIT Undergraduate Research and Innovation (URI) Program
7/30/2019: Congratulations to Max on his succesfull dissertation proposal!
6/04/2019: Gennady visited Prof. Boris Gurevich at Curtin University in Western Australia and presented a talk "Compressibility of Simple Fluids Confined in Nanopores" at Curtin/CSIRO Geophysics Seminar.
Coincidentally, the joint paper with Boris "Modeling elastic properties of Vycor glass saturated with liquid and solid adsorbates" came out in Adsorption this week. The PDF is available online at: DOI: 10.1007/s10450-019-00123-4
5/28/2019: Gennady presented a talk "Molecular Simulations Shed Light on Potential Uses of Ultrasound in Nitrogen Adsorption Experiments" at the 13th Fundamentals of Adsorption Conference held in Cairns, Australia, on May 26-31, 2019.
4/07/2019: Nick Corrente represented NJIT at the Undergraduate Research Poster Competition within the 2019 AICHE Mid-Atlantic Student Regional Conference at Pennsylvania State University, State College, PA (April 5-7, 2019). Nick presented a poster "Compressibility of confined simple fluid from an equation of state and molecular simulation".
2/19/2019: Gennady presented a talk "Molecular basis for ultrasonic characterization of nitrogen-saturated nanoporous materials" at the 1st Symposium on Acoustics of Nanoporous Materials at the Salford University, (Manchester, UK).
2/07/2019: Welcome to Marcos Molina, who joins the group as undergraduate researcher!
1/22/2019: Our paper "Mechanical Characterization of Hierarchical Structured Porous Silica by in-situ Dilatometry Measurements during Gas Adsorption" came out in Langmuir. This work is a continuation of our collaboration with ZAE Bayern, Paris Lodron University Salzburg, Montanuniversitaet Leoben and Rutgers University.
The PDF is available at DOI: 10.1021/acs.langmuir.8b03242
1/12/2019: Our paper "Porous Structure of Silica Colloidal Crystals" came out in Langmuir. This work is a collaborative work led by Prof. Galukhin, which presents the application of nitrogen adsorption to characterization of synthetic opals. Congratulations to Alina Emelianova, who carried out the modeling part of this work!
The PDF is available at DOI: 10.1021/acs.langmuir.8b03476
1/10/2019: Congratulations to Alina Emelianova on her succesful qualifying examination!
12/14/2018: Gor's group attended The 22nd Annual Meeting of Northeast Corridor Zeolite Association (NECZA). Alina and Max presented posters on "Monte Carlo simulation of adsorption in synthetic faujasite zeolites" and "Molecular Simulations Shed Light on Potential Uses of Ultrasound in Nitrogen Adsorption Experiments" respectively.
11/26/2018: Our new paper "Molecular Simulations Shed Light on Potential Uses of Ultrasound in Nitrogen Adsorption Experiments" came out in Langmuir. Congratulations to Max on his first paper! The PDF is available at DOI: 10.1021/acs.langmuir.8b02909. The idea of the paper is depicted in the cartoon below (drawn by Alina): one can use ultrasound to probe a porous body impregnated with nitrogen.
11/21/2018: Our new paper "A single parameter for predicting the morphology of atmospheric black carbon" came out in Environ. Sci. Technol. (IF: 6.198) This work, including both experiments and modeling, is a result of collaboration with the Khalizov group at NJIT Chemistry, and work of four of our students: Chao Chen, Ogo Enekwizu, Chris Dobrzanski and Elly Ivanova. Congratulations! The PDF is available at DOI: 10.1021/acs.est.8b04201
11/13/2018: Gennady Gor delivered an invited keynote presentation "Adsorption-induced deformation: solvation pressure and surface stress approaches" at the XIX Workshop on the Characterization of Fine and Porous Solids "Sorption Induced Deformation of Solids: Swelling and Shrinkage" organized by POROTEC GmbH.
10/05/2018: A new paper from Gor's group came out in Journal of Geophysical Research - Solid Earth. The work "Sorption-Induced Deformation and Elastic Weakening of Bentheim Sandstone" is a result of collaboration with geophysicists from Curtin University (Australia). This experimental study links the phenomenon of adsorption-induced deformation to the change of the elastic properties of sandstone. The paper is available online at DOI: 10.1029/2018JB016003
9/15/2018: Gennady Gor presented a lecture for the high-school students at 30ka, one of the top Russian high schools, specialized in math and physics. The topics covered included the basics of molecular modeling, as well as a Q&A on careers in STEM.
9/07/2018: Welcome to Duyen Nguyen! Duyen is a new Ph.D. student in Khalizov group, co-advised by Gennady Gor.
8/31/2018: A new paper from Gor's group came out in Phys. Rev. Materials. The work "Elastocapillarity in nanopores: Sorption strain from the actions of surface tension and surface stress" is a result of collaboration with researchers from Hamburg University of Technology Prof. Patrick Huber and Prof. Jörg Weissmüller. In this work the phenomenon of adsorption-induced deformation is discussed based on a phenomenological description of coupled mechanics and adsorption that has well-established links to continuum mechanics. The paper is available online at DOI: 10.1103/PhysRevMaterials.2.086002
8/17/2018: Congratulations to Max on his fruitful independent study with Prof. Roman Voronov! Max wrote an image-processing code that helped to unveil the regularities in behavior of cells in microfluidic mazes. These results contributed to a paper in Cellular and Molecular Bioengineering. The paper is available at DOI: 10.1007/s12195-018-0551-x
8/06/2018: Congratulations to Chris Dobrzanski on his succesful dissertation proposal defense!
8/03/2018: Our high school students presented at the Provost High School Interns Poster Symposium. Zach Lyandres spoke on "Analysis of Structure of Nanoconfined Fluids and Relation to the Elastic Properties" and Juan Valencia on "Predicting the Vapor Pressures for Low-Volatile Organic Compounds". These excellent presentations would not be possible without their mentors: Nick, Chris, Emma and Max.
7/27/2018: Nick Corrente, rising senior in the CME department, and a research assistant in Gor's group presented his summer project "Molecular Dynamics Simulations Study of Confinement Effects on Compressibility and Heat Capacity of Fluids" at the NJIT's 11th International Undergraduate Research Symposium. You can learn more about this event at NJIT URI website: NJIT Undergraduate Research and Innovation (URI) Program
7/13/2018: Gor's group attended a RASPA Workshop at Northwestern University. For Nick, Chris, Alina and Max, it was a great opportunity to attend the lectures by world-class experts in Monte Carlo simulations, and to get hands-on experience with RASPA -- a powerful molecular simulations code.
7/06/2018: Gennady Gor attended a Conference Cluster held in Suzdal, Russia, presenting an invited key lecture "Mechanical Effects of Fluids Adsorption in Nanoporous Materials" at the International Symposium "Smart materials" and a lecture "Modeling Adsorption-Induced Stresses in Nanoporous Materials" at the Summer School "Modeling of smart materials"
6/27/2018: Gennady Gor visited the Acoustics Laboratory at St. Petersburg State University and gave a seminar on "Compressibility of Fluids Confined in Nanopores"
6/25/2018: Welcome to the new members of the Gor group, working within the summer research programs for undergraduate and high school students: Emma King, (Wellesley College), Zachary Lyandres (Tenafly High School) and Juan Valencia (Union City High School)
6/01/2018: Congratulations to Max Maximov on his success on the qualifying exam!
5/18/2018: Gennady Gor organized a first NJIT Molecular Simulations Mini-Workshop. This workshop brought together NJIT researchers working in molecular and atomistic modeling across the disciplines.
5/17/2018: Gennady Gor attended the Jubilee Interpore Annual Meeting in New Orleans and together with Prof. Patrick Huber organized the minisymposium "Fluids in Nanoporous Media". This year was the third year of the minisymposium, which remains the largest at the Interpore Meeting with 20 oral presentations and a number of posters.
5/09/2018: Gor's group attended the CPM8 workshop, presenting two posters and an oral contribution. Congratulations to Max Maximov and Alina Emelianova with their first presentations on an international meeting!
5/07/2018: Congratulations to Zachary Lyandres (Tenafly High School) on 2018 Provost High School Summer Research Internship. He will spent his second summer working with the Gor's group and learning what computational research is.
4/30/2018: Congratulations to Nick Corrente on 2018 Provost Summer Research Fellowship Award. This award will allow Nick to focus on his research project full-time during this summer.
3/14/2018: Congratulations to Zachary Lyandres (Tenafly High School) on Yale Science and Engineering Award for his presentation at Nokia Bell Labs North Jersey Regional Science Fair. Zach presented the results of his research carried out at Computational Laboratory for Porous Materials during the Summer 2017. More information is available at NJRSF website
1/30/2018: Welcome to Taylor Kvist and Nick Corrente, who join the group as undergraduate researchers!
1/10/2018: Welcome to Alina Emelianova, who joins the group as a Ph.D. student!
1/03/2018: Congratulations to Chris Dobrzanski on his first journal publication, which has been accepted to J. Chem. Phys.! In this work we simulated liquid argon in model nanopores and calculated its compressibility. We showed that along with the pore size, the pore shape affects the elastic modulus of confined argon: argon is a spherical pore is stiffer than in the cylindrical pore of the same size. This observation suggests that elasticity of confined fluids can be used as a quantitative measure for calculation of pore size distribution of a nanoporous sample.
The paper is available online at the J. Chem. Phys. webpage
12/28/2017: Our new paper "Gassmann Theory Applies to Nanoporous Media" (by Gennady Gor and Boris Gurevich) came out in Geophysical Research Letters. Gassmann theory describes the propagation of sound waves in fluid-saturated porous media, which is essential for exploration geophysics. Does this theory apply to nanoporous media, such as shales? For shales it still remains an open question, yet our paper showed that for a model nanoporous medium, Vycor glass, the Gassmann theory works. In order to apply the Gassmann equation for such system, the fluid properties have to be modified to take into account the solvation pressure in the nanopores. Our findings set up a theoretical framework for investigation of fluid-saturated nanoporous media using ultrasonic elastic wave propagation.
The paper is available online at: the GRL webpage
11/06/2017: Max Maximov and Chris Dobrzanski present their works at the 2017 Annual Meeting of the American Physical Society Mid-Atlantic Section. Both works employed Monte Carlo molecular simulations to model thermodynamics of fluids in the nanopores. Max spoke on "Argon Adsorption in Three-Dimensional Ordered Mesoporous (3DOm) Carbons: Monte Carlo Molecular Simulation Study" and Chris on "Calculation of elastic properties of argon confined in nanopores of various morphologies using grand canonical Monte Carlo"
11/01/2017: Gennady Gor attends AIChE annual meeting, presenting the results of Christopher Dobrzanski's work "Compressibility of Argon Confined in Nanopores: Effect of the Pore Geometry" and a joint work with Khalizov's group "Analytical Model for Vapor Condensation on Soot Agglomerates"
10/24/2017: Gennady Gor gives a seminar at St. Petersburg State University, Department of Statistical Physics speaking "On the Problem of Condensation-Induced Restructuring of Soot Agglomerates" based on the collaborative work with the Khalizov group
10/17/2017: Gennady Gor gives a talk "Fluctuations of number of particles in the fluid confined in a nanopore" at the 5th Russian conference
"Metastable States and Fluctuation Phenomena" held in in Yekaterinburg (Russia) at the Institute of Thermal Physics of the Ural Branch of the Russian Academy of Sciences. This work demonstrated how compressibility of confined fluid can be extracted from the Monte Carlo simulation in the grand canonical ensemble (GCMC). Ironically, among the conference participants was famous Professor Norman, the father of the GCMC method.
10/06/2017: Gennady Gor gives a seminar at NJIT's Department of Mathematical Sciences, speaking on "How to Interpret Ultrasonic Experiments on Fluid-Saturated Nanoporous Media?" within the Applied Mathematics Colloquium series
9/19/2017: Lukas Ludescher joins the group as a visiting Ph.D. student. Lukas is a Ph.D. student in Montanuniversitaet Leoben, where he works on a collaborative project on sorption-induced deformation. He came to the US to work on the computational aspects of this project.
9/05/2017: Maksim (Max) Maksimov joins the group as a Ph.D. student
7/28/2017: Gennady Gor visits the DuPont Experimental Station (Wilmington, DE) and gives a seminar "Compressibility of the fluids confined in the nanopores"
7/28/2017: Armani-Christian Roxas presents the results of his research "Surface Stresses Induced by Polycyclic Aromatic Hydrocarbon Condensation on Carbon Surface: Molecular Dynamics Simulation" at the Undergraduate Summer Research Symposium at NJIT. Read more about the symposium on the NJIT web site
7/17/2017: Gennady Gor attends the "DIANA" workshop organized by Oskar Paris at Montanuniversitaet, Leoben, Austria. In addition to discussing the collaborative work on adsorption-induced deformation of hierarchical mesoporous structures, he gives a seminar "What can we learn about elasticity of nanoporous material from elasticity of fluid in its pores?"
7/11/2017: Gennady Gor attends the Sixth Biot Conference on Poromechanics in Paris, giving an oral presentation "Bulk Modulus of Not-So-Bulk Fluid". The proceedings of the conference are published by ASCE and are available online here
6/29/2017: Gennady Gor gives an oral presentation at the International Conference on Nucleation and Atmospheric Aerosols (ICNAA2017) in Helsinki, Finland. He presents the work done in collaboration with Khalizov's group "Kinetic model for condensation-induced restructuring of atmospheric soot agglomerates". The extended abstract of the conference are available online here
6/19/2017: High school students Marcelo Munoz and Zachary Lyandres join the group to carry out research during the summer.
5/26/2017: A new paper "Adsorption-Induced Deformation of Hierarchically Structured Mesoporous Silica - Effect of Pore-Level Anisotropy" written as a result of collaborative work of Gennady Gor with reserachers from ZAE Bayern (Germany), Montanuniversitaet Leoben (Austria), University of Salzburg (Austria), Rutgers University and Naval Research Lab has been published in Langmuir. In addition to the unique experimental results, the paper presents a new model of deformation of a material with channel-like pores due to adsorption which distinguish the stresses normal to the channel and along the channel. The paper is available online at: the Langmuir webpage
5/19/2017: Gennady Gor gave an oral presentation "Elastic Properties of Confined Fluids and their Application for Characterization of Porous Materials" at the XI International Conference on Characterization of Porous Solids in Avignon. Two other contributions based on the collaborative work of Dr. Gor with ZAE Bayern (Germany) were presented at the conference by Christian Balzer.
5/12/2017: Christopher Dobrzanski and Gennady Gor attended the Interpore conference in Rotterdam. Christopher presented the results on his research obtained within the 1st year of his Ph.D. studies.
4/26/2017: Armani-Christian Roxas has been awarded the 2017 Provost Undergraduate Summer Research Scholarship to carry out research in the Gor's group during the Summer 2017. Armani will be working on modeling interactions of soot particles with polycyclic aromatic hydrocarbons using molecular dynamics simulation.
3/17/2017: Gennady Gor presented his research on mechanical effects of adsorption at several seminars in St. Petersburg and Moscow: Molecular Physics Department at MEPhI, Institute of Problems of Mechanical Engineering Russian Academy of Sciences, St. Petersburg State Technological Institute, SCAMT laboratory at ITMO University, Laboratory of Physics of Nanostructures at St. Petersburg National Research Academic University.
2/24/2017: Gennady Gor has published an invited review paper on adsorption-induced deformation of nanoporous materials in the journal Applied Physics Reviews. Nanoporous materials play an important role in many chemical engineering applications, in particular they are used as adsorbents. When fluids get adsorbed in the pores that are only a few nanometers wide, the intermolecular forces between the fluids and solids induce very high pressures. These pressures can reach hundreds of atmospheres and cause noticeable deformations even in stiff solid materials. The review paper discusses a variety of cases where these strains are significant: change of permeation of zeolite membranes, swelling of coal, etc. and presents the state-of-the art theoretical understanding of this phenomenon.
The paper is available online (open access) at DOI: 10.1063/1.4975001
1/28/2017: Gennady Gor presents a simple analytical model for condensation-induced restructuring of soot agglomerates at the 35th Northeast Regional Meeting on Kinetics and Dynamics. These are the first results on the collaborative project with Khalizov's group, supported by NJIT Seed grant.
11/20/2016: Dr. Gor organizes Minisymposium Fluids in Nanoporous Media at the Interpore-9 conference. The abstracts for poster presentations are still accepted. More information.
10/26/2016: Molecular simulations suggest that argon confined in a mesopore satisfies classical Tait equation, linear relation between elastic modulus and pressure. Moreover, the slope of this linear relation is the same as for bulk liquid argon. This is the main result of the new Dr. Gor's paper in J. Chem. Phys. This result can be used to determine elastic properties of nanoporous materials.
9/16/2016: Dr. Gor received NJIT seed grant to work on restructuring of soot nanoparticles in collaboration with Dr. Khalizov. More information.
8/02/2016: Adsorption-induced deformation can be used to improve the calculation of pore-size distribution of microporous carbons. This was shown in a collaborative paper with ZAE Bayern and Rutgers published in Langmuir