THE VIBRATIONAL SPECTRA AND HARMONIC AS INITIO FORCE FIELDS FOR BICYCLO[2.2.1]HEPTANE AND SEVERAL ANALOGS

Address: Department of Chemistry, University of Calgary, Calgary, Alberta, T2N IN4 Canada.Author Institution:The vibrational spectra in the region of 4000-100 $cm^{-1}$ are reported for 7-oxa- and 7-thiabicyclo[2.2.1]heptane and bicyclo[2.2.1]hept-2-ene. The spectra of bicyclo[2.2.1]heptane and 2,5-diene are included for comparison. The ab initio force fields are calculated at the STO-3G and 3-21G levels for each molecule. The force constants are scaled to fit the observed spectra. The transferability of the scaling factors within this series of compounds is examined for the two basis sets. The optimized force fields are compared with respect to eigenvectors and calculated frequencies

The seismo-hydromechanical behavior during deep geothermal reservoir stimulations: open questions tackled in a decameter-scale in situ stimulation experiment

In this contribution, we present a review of scientific research results that address seismo-hydromechanically coupled processes relevant for the development of a sustainable heat exchanger in low-permeability crystalline rock and introduce the design of the In situ Stimulation and Circulation (ISC) experiment at the Grimsel Test Site dedicated to studying such processes under controlled conditions. The review shows that research on reservoir stimulation for deep geothermal energy exploitation has been largely based on laboratory observations, large-scale projects and numerical models. Observations of full-scale reservoir stimulations have yielded important results. However, the limited access to the reservoir and limitations in the control on the experimental conditions during deep reservoir stimulations is insufficient to resolve the details of the hydromechanical processes that would enhance process understanding in a way that aids future stimulation design. Small-scale laboratory experiments provide fundamental insights into various processes relevant for enhanced geothermal energy, but suffer from (1) difficulties and uncertainties in upscaling the results to the field scale and (2) relatively homogeneous material and stress conditions that lead to an oversimplistic fracture flow and/or hydraulic fracture propagation behavior that is not representative of a heterogeneous reservoir. Thus, there is a need for intermediate-scale hydraulic stimulation experiments with high experimental control that bridge the various scales and for which access to the target rock mass with a comprehensive monitoring system is possible. The ISC experiment is designed to address open research questions in a naturally fractured and faulted crystalline rock mass at the Grimsel Test Site (Switzerland). Two hydraulic injection phases were executed to enhance the permeability of the rock mass. During the injection phases the rock mass deformation across fractures and within intact rock, the pore pressure distribution and propagation, and the microseismic response were monitored at a high spatial and temporal resolution

The seismo-hydromechanical behavior during deep geothermal reservoir stimulations: open questions tackled in a decameter-scale in situ stimulation experiment

In this contribution, we present a review of scientific research results that address seismo-hydromechanically coupled processes relevant for the development of a sustainable heat exchanger in low-permeability crystalline rock and introduce the design of the In situ Stimulation and Circulation (ISC) experiment at the Grimsel Test Site dedicated to studying such processes under controlled conditions. The review shows that research on reservoir stimulation for deep geothermal energy exploitation has been largely based on laboratory observations, large-scale projects and numerical models. Observations of full-scale reservoir stimulations have yielded important results. However, the limited access to the reservoir and limitations in the control on the experimental conditions during deep reservoir stimulations is insufficient to resolve the details of the hydromechanical processes that would enhance process understanding in a way that aids future stimulation design. Small-scale laboratory experiments provide fundamental insights into various processes relevant for enhanced geothermal energy, but suffer from (1) difficulties and uncertainties in upscaling the results to the field scale and (2) relatively homogeneous material and stress conditions that lead to an oversimplistic fracture flow and/or hydraulic fracture propagation behavior that is not representative of a heterogeneous reservoir. Thus, there is a need for intermediate-scale hydraulic stimulation experiments with high experimental control that bridge the various scales and for which access to the target rock mass with a comprehensive monitoring system is possible. The ISC experiment is designed to address open research questions in a naturally fractured and faulted crystalline rock mass at the Grimsel Test Site (Switzerland). Two hydraulic injection phases were executed to enhance the permeability of the rock mass. During the injection phases the rock mass deformation across fractures and within intact rock, the pore pressure distribution and propagation, and the microseismic response were monitored at a high spatial and temporal resolution